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Screening compounds

1alpha-Hydroxytorilin

Also known as 1|A-Hydroxytorilin, 1| cent-Hydroxytorilin, [(5S,6R,8S,8aR)-5-(2-acetyloxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,4,5,6,7,8-hexahydroazulen-6-yl] (Z)-2-methylbut-2-enoate

CAS 887147-75-3Formula C22H32O6Molar mass 392.49 g/mol
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1alpha-Hydroxytorilin chemical structure, C22H32O6, CAS 887147-75-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
887147-75-3
Formula
C22H32O6
Molar mass
392.49 g/mol
HS code
291619
Category
Screening compounds

What is 1alpha-Hydroxytorilin?

Plain description, key identifiers and synonyms

1alpha-Hydroxytorilin has been reported in Cnidium monnieri, Torilis japonica, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(5S,6R,8S,8aR)-5-(2-acetyloxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,4,5,6,7,8-hexahydroazulen-6-yl] (Z)-2-methylbut-2-enoate
CAS number
887147-75-3
Molecular formula
C22H32O6
InChIKey
YSHITMOTGBUVPS-CCWJTCTHSA-N
InChI
InChI=1S/C22H32O6/c1-8-12(2)20(25)27-19-9-13(3)22(26)11-18(24)14(4)16(22)10-17(19)21(6,7)28-15(5)23/h8,13,17,19,26H,9-11H2,1-7H3/b12-8-/t13-,17-,19+,22+/m0/s1
Canonical SMILES
CC=C(C)C(=O)OC1CC(C)C2(O)CC(=O)C(C)=C2CC1C(C)(C)OC(C)=O
Isomeric SMILES
C/C=C(/C)\C(=O)O[C@@H]1C[C@@H]([C@@]2(CC(=O)C(=C2C[C@@H]1C(C)(C)OC(=O)C)C)O)C

Synonyms

  • 1|A-Hydroxytorilin
  • 1| cent-Hydroxytorilin
  • [(5S,6R,8S,8aR)-5-(2-acetyloxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,4,5,6,7,8-hexahydroazulen-6-yl] (Z)-2-methylbut-2-enoate
  • 11-acetoxy-8-angeloyloxy-1alpha-hydroxy-4-guaien-3-one

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
392.49 g/molcalc.
Exact mass
392.2199 Dacalc.
LogP (octanol/water)
3.27calc.
Topological polar surface area
89.9 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
4calc.
Heavy atoms
28calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.68calc.
Formal charge
0calc.
Stereocentres
4calc.
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=C2CCCCCC2C1

O=C1C=C2CCCCCC2C1

2 rings, 11 atoms, the 4,5,6,7,8,8a-Hexahydro-1H-azulen-2-one ring system.

19 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.

1alpha-Hydroxytorilin suppliers

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1alpha-Hydroxytorilin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

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 1alpha-Hydroxytorilin is traded under.

HS 2916.19Indicative HS code

Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…

World exports in 2024
$674M
−9.6% vs 2023, imports $722M
2019 to 2024
Top exporters
  1. China44.5%
  2. Germany15.3%
  3. India * partner reported11.5%
Top importers
  1. United States17.1%
  2. Netherlands7.8%
  3. South Korea7.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for 1alpha-Hydroxytorilin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 1alpha-Hydroxytorilin, based on the data on this page

What is 1alpha-Hydroxytorilin?

1alpha-Hydroxytorilin has been reported in Cnidium monnieri, Torilis japonica, and other organisms.

What is the CAS number of 1alpha-Hydroxytorilin?

The CAS registry number of 1alpha-Hydroxytorilin is 887147-75-3.

What is the molecular formula and weight of 1alpha-Hydroxytorilin?

The molecular formula of 1alpha-Hydroxytorilin is C22H32O6 and its molar mass is 392.49 g/mol.

What is 1alpha-Hydroxytorilin used for?

Known uses and roles of 1alpha-Hydroxytorilin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 1alpha-Hydroxytorilin hazardous?

No GHS hazard classification for 1alpha-Hydroxytorilin 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 1alpha-Hydroxytorilin?

1alpha-Hydroxytorilin is usually classified under HS code 291619 (Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 1alpha-Hydroxytorilin?

Post a free request on CompoundList and suppliers of 1alpha-Hydroxytorilin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 1alpha-Hydroxytorilin?

Suppliers quote 1alpha-Hydroxytorilin 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

Practical guides that help when you source, ship or handle 1alpha-Hydroxytorilin

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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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