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Screening compounds

Dihydroholacanthone

Also known as [(1S,4R,5R,6R,7S,8R,11R,13S,14S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-8-yl] acetate, Picrasane-2,16-dione, 15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-, (1beta,4beta,11beta,12alpha,15.beta.)-

CAS 77648-51-2Formula C22H30O9Molar mass 438.47 g/mol
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Dihydroholacanthone chemical structure, C22H30O9, CAS 77648-51-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
77648-51-2
Formula
C22H30O9
Molar mass
438.47 g/mol
HS code
293220
Category
Screening compounds

What is Dihydroholacanthone?

Plain description, key identifiers and synonyms

Dihydroholacanthone is a chemical substance with the molecular formula C22H30O9 and a molar mass of 438.47 g/mol. Its CAS registry number is 77648-51-2. The IUPAC name is [(1S,4R,5R,6R,7S,8R,11R,13S,14S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-8-yl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,4R,5R,6R,7S,8R,11R,13S,14S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-8-yl] acetate
CAS number
77648-51-2
Molecular formula
C22H30O9
UNII
2IOG5P77VR
InChIKey
KIZWNNDWEPUGBU-ICNKIGFJSA-N
InChI
InChI=1S/C22H30O9/c1-8-5-12(24)17(26)20(4)11(8)6-13-21-7-29-22(28,19(20)21)16(25)9(2)14(21)15(18(27)31-13)30-10(3)23/h8-9,11,13-17,19,25-26,28H,5-7H2,1-4H3/t8-,9+,11-,13+,14+,15+,16+,17+,19+,20+,21-,22-/m0/s1
Canonical SMILES
CC(=O)OC1C(=O)OC2CC3C(C)CC(=O)C(O)C3(C)C3C4(O)OCC23C1C(C)C4O
Isomeric SMILES
C[C@H]1CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H]([C@@H]([C@@H]4[C@H](C(=O)O3)OC(=O)C)C)O)(OC5)O)C)O

Synonyms

  • [(1S,4R,5R,6R,7S,8R,11R,13S,14S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-8-yl] acetate
  • Picrasane-2,16-dione, 15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-, (1beta,4beta,11beta,12alpha,15.beta.)-

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
438.47 g/molcalc.
Exact mass
438.189 Dacalc.
LogP (octanol/water)
-0.21calc.
Topological polar surface area
139.6 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
1calc.
Heavy atoms
31calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
Formal charge
0calc.
Stereocentres
12calc.
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=C1CCC2CC3OC(=O)CC4CCC5OCC43C5C2C1

O=C1CCC2CC3OC(=O)CC4CCC5OCC43C5C2C1

5 rings, 21 atoms.

No other chemical in our database has 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.

Dihydroholacanthone suppliers

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Dihydroholacanthone 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 Dihydroholacanthone is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Dihydroholacanthone?

Dihydroholacanthone is a chemical substance with the molecular formula C22H30O9 and a molar mass of 438.47 g/mol. Its CAS registry number is 77648-51-2.

What is the CAS number of Dihydroholacanthone?

The CAS registry number of Dihydroholacanthone is 77648-51-2.

What is the molecular formula and weight of Dihydroholacanthone?

The molecular formula of Dihydroholacanthone is C22H30O9 and its molar mass is 438.47 g/mol.

What is Dihydroholacanthone used for?

Known uses and roles of Dihydroholacanthone include cooling agents in flavors and fragrances, building blocks in research and laboratory and screening compounds in research and laboratory.

Is Dihydroholacanthone hazardous?

No GHS hazard classification for Dihydroholacanthone 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 Dihydroholacanthone?

Dihydroholacanthone is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dihydroholacanthone?

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

What is the price of Dihydroholacanthone?

Suppliers quote Dihydroholacanthone 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 Dihydroholacanthone

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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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