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Steroids and sterols

Carpesterol

CAS 31077-78-8Formula C37H54O4Molar mass 562.84 g/mol
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Carpesterol chemical structure, C37H54O4, CAS 31077-78-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
31077-78-8
Formula
C37H54O4
Molar mass
562.84 g/mol
HS code
291631
Category
Steroids and sterols

What is Carpesterol?

Plain description, key identifiers and synonyms

Carpesterol has been reported in Solanum violaceum, Solanum virginianum, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3S,4S,5S,9R,10R,13R,14R,17R)-17-[(2S,3R,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-4,10,13-trimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate
CAS number
31077-78-8
Molecular formula
C37H54O4
InChIKey
PQWWCRLPWBAFIP-PRQOAQHDSA-N
InChI
InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1
Canonical SMILES
CCC(CC(O)C(C)C1CCC2C3=CC(=O)C4C(C)C(OC(=O)c5ccccc5)CCC4(C)C3CCC21C)C(C)C
Isomeric SMILES
CC[C@H](C[C@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@@H]4[C@@]3(CC[C@@H]([C@H]4C)OC(=O)C5=CC=CC=C5)C)C)O)C(C)C

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
562.84 g/molcalc.
Exact mass
562.4022 Dacalc.
LogP (octanol/water)
8.29calc.
Topological polar surface area
63.6 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
8calc.
Heavy atoms
41calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.73calc.
Formal charge
0calc.
Stereocentres
11calc.
Lipinski rule of five
Fails (2 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=C(OC1CCC2C(C1)C(=O)C=C1C3CCCC3CCC12)c1ccccc1

O=C(OC1CCC2C(C1)C(=O)C=C1C3CCCC3CCC12)c1ccccc1

5 rings, 27 atoms.

1 other chemical 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.

Carpesterol suppliers

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

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Carpesterol 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Carpesterol is traded under.

HS 2916.31Indicative HS code

Benzoic acid, its salts and esters

World exports in 2024
$668M
+12.0% vs 2023, imports $664M
2019 to 2024
Top exporters
  1. China30.7%
  2. Netherlands29.8%
  3. Estonia9.9%
Top importers
  1. United States14.7%
  2. Germany8.8%
  3. Brazil5.1%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Carpesterol?

Carpesterol has been reported in Solanum violaceum, Solanum virginianum, and other organisms.

What is the CAS number of Carpesterol?

The CAS registry number of Carpesterol is 31077-78-8.

What is the molecular formula and weight of Carpesterol?

The molecular formula of Carpesterol is C37H54O4 and its molar mass is 562.84 g/mol.

Is Carpesterol hazardous?

No GHS hazard classification for Carpesterol 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 Carpesterol?

Carpesterol is usually classified under HS code 291631 (Benzoic acid, its salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Carpesterol?

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

What is the price of Carpesterol?

Suppliers quote Carpesterol 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 Carpesterol

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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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