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Steroids and sterols

Isoceanothic acid

Also known as (1R,2R,5S,8R,9R,10R,13R,14R,15S,16R,18R)-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid

CAS 2739-72-2Formula C30H46O5Molar mass 486.69 g/mol
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Isoceanothic acid chemical structure, C30H46O5, CAS 2739-72-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2739-72-2
Formula
C30H46O5
Molar mass
486.69 g/mol
HS code
291819
Category
Steroids and sterols

What is Isoceanothic acid?

Plain description, key identifiers and synonyms

Isoceanothic acid is a dicarboxylic acid, a 3alpha-hydroxy steroid and a steroid acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2R,5S,8R,9R,10R,13R,14R,15S,16R,18R)-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid
CAS number
2739-72-2
Molecular formula
C30H46O5
InChIKey
WLCHQSHZHFLMJH-OHVPXIODSA-N
InChI
InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)/t17-,18+,19-,20-,21+,22-,23+,27+,28+,29-,30-/m0/s1
Canonical SMILES
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)C(C(=O)O)C(O)C(C)(C)C5CCC43C)C12
Isomeric SMILES
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4([C@@H]([C@H](C5(C)C)O)C(=O)O)C)C)C(=O)O

Synonyms

  • (1R,2R,5S,8R,9R,10R,13R,14R,15S,16R,18R)-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid

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
486.69 g/molcalc.
Exact mass
486.3345 Dacalc.
LogP (octanol/water)
6.01calc.
Topological polar surface area
94.83 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
35calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.87calc.
Formal charge
0calc.
Stereocentres
11calc.
Lipinski rule of five
Passes (1 violation)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, C1CC2CCC3C(CCC4C5CCCC5CCC43)C2C1

C1CC2CCC3C(CCC4C5CCCC5CCC43)C2C1

5 rings, 20 atoms.

5 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.

Isoceanothic acid suppliers

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

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Isoceanothic acid price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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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 Isoceanothic acid is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Isoceanothic acid, based on the data on this page

What is Isoceanothic acid?

Isoceanothic acid is a dicarboxylic acid, a 3alpha-hydroxy steroid and a steroid acid.

What is the CAS number of Isoceanothic acid?

The CAS registry number of Isoceanothic acid is 2739-72-2.

What is the molecular formula and weight of Isoceanothic acid?

The molecular formula of Isoceanothic acid is C30H46O5 and its molar mass is 486.69 g/mol.

Is Isoceanothic acid hazardous?

No GHS hazard classification for Isoceanothic acid 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 Isoceanothic acid?

Isoceanothic acid is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isoceanothic acid?

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

What is the price of Isoceanothic acid?

Suppliers quote Isoceanothic acid 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 Isoceanothic acid

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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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