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Steroids and sterols

Orb3179738

CAS 53822-99-4Formula C30H52O3Molar mass 460.74 g/mol
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Orb3179738 chemical structure, C30H52O3, CAS 53822-99-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
53822-99-4
Formula
C30H52O3
Molar mass
460.74 g/mol
HS code
290613
Category
Steroids and sterols

What is Orb3179738?

Plain description, key identifiers and synonyms

Isofouquierol has been reported in Boswellia sacra, Trichilia, and Ceriops tagal.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E,6S)-6-[(3S,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-3-ene-2,6-diol
CAS number
53822-99-4
Molecular formula
C30H52O3
InChIKey
ILQOLRWKVAXWJC-XVGAYARYSA-N
InChI
InChI=1S/C30H52O3/c1-25(2,32)15-9-16-30(8,33)21-12-18-28(6)20(21)10-11-23-27(5)17-14-24(31)26(3,4)22(27)13-19-29(23,28)7/h9,15,20-24,31-33H,10-14,16-19H2,1-8H3/b15-9+/t20-,21+,22+,23-,24+,27+,28-,29-,30+/m1/s1
Canonical SMILES
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C
Isomeric SMILES
C[C@@]12CC[C@@H]([C@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)[C@](C)(C/C=C/C(C)(C)O)O

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
460.74 g/molcalc.
Exact mass
460.3916 Dacalc.
LogP (octanol/water)
6.5calc.
Topological polar surface area
60.69 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.93calc.
Formal charge
0calc.
Stereocentres
9calc.
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, C1CCC2C(C1)CCC1C3CCCC3CCC21

C1CCC2C(C1)CCC1C3CCCC3CCC21

4 rings, 17 atoms.

1,694 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.

Orb3179738 suppliers

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Orb3179738 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 Orb3179738 is traded under.

HS 2906.13Indicative HS code

Sterols and inositols

World exports in 2024
$316M
−12.1% vs 2023, imports $291M
2019 to 2024
Top exporters
  1. China42.0%
  2. United States16.4%
  3. Netherlands9.6%
Top importers
  1. Ecuador * partner reported13.0%
  2. China13.0%
  3. United States9.4%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb3179738 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3179738, based on the data on this page

What is Orb3179738?

Isofouquierol has been reported in Boswellia sacra, Trichilia, and Ceriops tagal.

What is the CAS number of Orb3179738?

The CAS registry number of Orb3179738 is 53822-99-4.

What is the molecular formula and weight of Orb3179738?

The molecular formula of Orb3179738 is C30H52O3 and its molar mass is 460.74 g/mol.

Is Orb3179738 hazardous?

No GHS hazard classification for Orb3179738 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 Orb3179738?

Orb3179738 is usually classified under HS code 290613 (Sterols and inositols). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3179738?

Post a free request on CompoundList and suppliers of Orb3179738 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3179738?

Suppliers quote Orb3179738 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 Orb3179738

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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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