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Esters and lactones

Botrydial

Also known as (1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl acetate, [(1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] acetate, ((1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl) acetate

CAS 54986-75-3Formula C17H26O5Molar mass 310.39 g/mol
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Botrydial chemical structure, C17H26O5, CAS 54986-75-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
54986-75-3
Formula
C17H26O5
Molar mass
310.39 g/mol
HS code
291539
Category
Esters and lactones

What is Botrydial?

Plain description, key identifiers and synonyms

Botrydial is a cytotoxic fungal metabolite isolated from plant tissues infected by phytopathogen Botrytis cinerea. It has a role as a mycotoxin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] acetate
CAS number
54986-75-3 CAS number cross-checked
Molecular formula
C17H26O5
UNII
2VQE1Z1G8Q
InChIKey
SJFIYVCSGNWVPJ-GKKOWQTJSA-N
InChI
InChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12+,13+,14+,16-,17-/m1/s1
Canonical SMILES
CC(=O)OC1CC(C)C(C=O)C2(O)C1C(C)(C)CC2(C)C=O
Isomeric SMILES
C[C@@H]1C[C@@H]([C@@H]2[C@]([C@H]1C=O)([C@@](CC2(C)C)(C)C=O)O)OC(=O)C

Synonyms

  • (1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl acetate
  • [(1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] acetate
  • ((1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl) acetate
  • ((1S,3aR,4S,6R,7S,7aR)-1,7-Diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl) acetate
  • (1S,3ar,4S,6R,7S,7as)-4-(acetyloxy)octahydro-7a-hydroxy-1,3,3,6-tetramethyl-1H-indene-1,7-dicarboxaldehyde
  • 1H-Indene-1,7-dicarboxaldehyde, 4-(acetyloxy)octahydro-7a-hydroxy-1,3,3,6-tetramethyl-, (1S,3ar,4S,6R,7S,7as)-

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
310.39 g/molcalc.
Exact mass
310.178 Dacalc.
LogP (octanol/water)
1.76calc.
Topological polar surface area
80.67 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
22calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.82calc.
Formal charge
0calc.
Stereocentres
6calc.
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, C1CCC2CCCC2C1

C1CCC2CCCC2C1

2 rings, 9 atoms, the Hydrindane ring system.

204 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.

Botrydial suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Botrydial 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

Roles

  • eukaryotic metabolite
  • fungal metabolite
  • metabolite
  • mycotoxin
  • poison
  • toxin

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 Botrydial is traded under.

HS 2915.39Indicative HS code

Esters of acetic acid, other

World exports in 2024
$2.03B
+7.9% vs 2023, imports $1.95B
2019 to 2024
Top exporters
  1. China58.0%
  2. United States7.3%
  3. Germany6.5%
Top importers
  1. Singapore15.6%
  2. South Korea7.2%
  3. Indonesia6.9%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Botrydial, based on the data on this page

What is Botrydial?

Botrydial is a cytotoxic fungal metabolite isolated from plant tissues infected by phytopathogen Botrytis cinerea. It has a role as a mycotoxin.

What is the CAS number of Botrydial?

The CAS registry number of Botrydial is 54986-75-3.

What is the molecular formula and weight of Botrydial?

The molecular formula of Botrydial is C17H26O5 and its molar mass is 310.39 g/mol.

What is Botrydial used for?

Known uses and roles of Botrydial include cooling agents in flavors and fragrances, eukaryotic metabolite, fungal metabolite, metabolite, mycotoxin and 2 more.

Is Botrydial hazardous?

No GHS hazard classification for Botrydial 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 Botrydial?

Botrydial is usually classified under HS code 291539 (Esters of acetic acid, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Botrydial?

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

What is the price of Botrydial?

Suppliers quote Botrydial 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 Botrydial

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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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