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Aliphatic and alicyclic building blocks

Vomifoliol, (+)-

Also known as Vomifoliol, (6S,9R)-vomifoliol, (6S,9R)-6-hydroxy-3-oxo-alpha-ionol

CAS 23526-45-6Formula C13H20O3Molar mass 224.30 g/mol
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Vomifoliol, (+)- chemical structure, C13H20O3, CAS 23526-45-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
23526-45-6
Formula
C13H20O3
Molar mass
224.30 g/mol
HS code
291440
Category
Aliphatic and alicyclic building blocks

What is Vomifoliol, (+)-?

Plain description, key identifiers and synonyms

(6S,9R)-vomifoliol is a (6S)-vomifoliol with a R configuration for the hydroxy group at position 9. It has a role as a metabolite and a phytotoxin. It is an enantiomer of a (6R,9S)-vomifoliol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
CAS number
23526-45-6 CAS number cross-checkedOther or deprecated CAS: 50763-73-0
Molecular formula
C13H20O3
UNII
B7QV234K84, P86438KC5J
MDL number
MFCD20260591
InChIKey
KPQMCAKZRXOZLB-KOIHBYQTSA-N
InChI
InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1
Canonical SMILES
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)O
Isomeric SMILES
CC1=CC(=O)CC([C@]1(/C=C/[C@@H](C)O)O)(C)C

Synonyms

  • Vomifoliol
  • (6S,9R)-vomifoliol
  • (6S,9R)-6-hydroxy-3-oxo-alpha-ionol
  • (+)-Vomifoliol
  • (4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
  • (4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
  • (4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
  • 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (+)-
  • (4S)-4-hydroxy-4-((1E,3R)-3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one
  • (4S)-4-hydroxy-4-((1E,3R)-3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one
  • (4S)-4-hydroxy-4-((E,3R)-3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one
  • 4-hydroxy-4-((1E)-3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one
  • 4-hydroxy-4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
  • Blumenol a
  • Roseoside aglycon
  • (+/-)-Volifoliol
  • (+/-)-Blumenol-A
  • (6S,7E,9R)-6,9-dihydroxy-4,7-megastigmadien-3-one
  • 2-Cyclohexen-1-one, 4-hydroxy-4-((1E,3R)-3-hydroxy-1-buten-1-yl)-3,5,5-trimethyl-, (4S)-
  • 2-Cyclohexen-1-one, 4-hydroxy-4-((1E,3R)-3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (4S)-
  • 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (R*,S*-(E))-
  • 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (S-(R*,S*-(E)))-
  • 4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one, (4S,3R)-(E)-(+/-)-
  • 2-Cyclohexen-1-one, 4-hydroxy-4-((1E,3R)-3-hydroxy-1-buten-1-yl)-3,5,5-trimethyl-, (4S)-rel-
  • 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (R*,S*-(E))-(+/-)-
Show all 36 synonyms
  • (+-)-Vomifoliol
  • (+-)-Blumenol A
  • Vomifoliol, (+-)-
  • bluemenol A
  • (+)-Blumenol a
  • (+-)-6-hydroxy-3-oxo-alpha-ionol
  • 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (+-)-
  • 6,9-dihydroxy-4,7-megastigmadien-3-one
  • 6,9-dihydroxymegastigma-4,7-dien-3-one
  • (6S,7E)-6,9-dihydroxymegastigma-4,7-dien-3-one
  • 6,9-Dihydroxy-4,7-megastigmadien-3-one (Vomifoliol, Blumenol A)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
224.30 g/molcalc.
Exact mass
224.1412 Dacalc.
LogP (octanol/water)
1.6calc.
Topological polar surface area
57.53 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
16calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.62calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C=CCCC1

O=C1C=CCCC1

1 ring, 7 atoms, the 2-Cyclohexen-1-one ring system.

1,362 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Vomifoliol, (+)- suppliers

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Vomifoliol, (+)- price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • eukaryotic metabolite
  • metabolite
  • phytotoxin
  • plant metabolite
  • poison
  • toxin

Functional uses

  • Flavouring and nutrient

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Vomifoliol, (+)- is traded under.

HS 2914.40Indicative HS code

Ketone-alcohols and ketone-aldehydes

World exports in 2024
$199M
+2.5% vs 2023, imports $247M
2019 to 2024
Top exporters
  1. China29.5%
  2. Germany14.4%
  3. Netherlands12.7%
Top importers
  1. United States37.2%
  2. Netherlands8.5%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Vomifoliol, (+)- is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Vomifoliol, (+)-, based on the data on this page

What is Vomifoliol, (+)-?

(6S,9R)-vomifoliol is a (6S)-vomifoliol with a R configuration for the hydroxy group at position 9. It has a role as a metabolite and a phytotoxin. It is an enantiomer of a (6R,9S)-vomifoliol.

What is the CAS number of Vomifoliol, (+)-?

The CAS registry number of Vomifoliol, (+)- is 23526-45-6. Other or deprecated CAS numbers: 50763-73-0.

What is the molecular formula and weight of Vomifoliol, (+)-?

The molecular formula of Vomifoliol, (+)- is C13H20O3 and its molar mass is 224.30 g/mol.

What is Vomifoliol, (+)- used for?

Known uses and roles of Vomifoliol, (+)- include building blocks in research and laboratory, screening compounds in research and laboratory, eukaryotic metabolite, metabolite, phytotoxin and 4 more.

Is Vomifoliol, (+)- hazardous?

No GHS hazard classification for Vomifoliol, (+)- is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Vomifoliol, (+)-?

Vomifoliol, (+)- is usually classified under HS code 291440 (Ketone-alcohols and ketone-aldehydes). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vomifoliol, (+)-?

CompoundList lists 1 supplier of Vomifoliol, (+)- in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Vomifoliol, (+)-?

Suppliers quote Vomifoliol, (+)- on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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