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Steroids and sterols

Orb3213975

CAS 2260669-22-3Formula C27H44O5Molar mass 448.64 g/mol
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Orb3213975 chemical structure, C27H44O5, CAS 2260669-22-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2260669-22-3
Formula
C27H44O5
Molar mass
448.64 g/mol
HS code
291819
Category
Steroids and sterols

What is Orb3213975?

Plain description, key identifiers and synonyms

Orb3213975 is a chemical substance with the molecular formula C27H44O5 and a molar mass of 448.64 g/mol. Its CAS registry number is 2260669-22-3. The IUPAC name is (2R,3S,6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-2-methylheptanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,3S,6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-2-methylheptanoic acid
CAS number
2260669-22-3
Molecular formula
C27H44O5
InChIKey
GQVVAINZOBDUHK-VUANGZDMSA-N
InChI
InChI=1S/C27H44O5/c1-15(5-8-22(29)16(2)25(31)32)19-6-7-20-24-21(10-12-27(19,20)4)26(3)11-9-18(28)13-17(26)14-23(24)30/h14-16,18-24,28-30H,5-13H2,1-4H3,(H,31,32)/t15-,16-,18+,19-,20+,21+,22+,23-,24+,26+,27-/m1/s1
Canonical SMILES
CC(CCC(O)C(C)C(=O)O)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C
Isomeric SMILES
C[C@H](CC[C@@H]([C@@H](C)C(=O)O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)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
448.64 g/molcalc.
Exact mass
448.3189 Dacalc.
LogP (octanol/water)
4.4calc.
Topological polar surface area
97.99 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
32calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.89calc.
Formal charge
0calc.
Stereocentres
11calc.
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, C1=C2CCCCC2C2CCC3CCCC3C2C1

C1=C2CCCCC2C2CCC3CCCC3C2C1

4 rings, 17 atoms.

1,163 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.

Orb3213975 suppliers

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Orb3213975 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 Orb3213975 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 Orb3213975 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3213975, based on the data on this page

What is Orb3213975?

Orb3213975 is a chemical substance with the molecular formula C27H44O5 and a molar mass of 448.64 g/mol. Its CAS registry number is 2260669-22-3.

What is the CAS number of Orb3213975?

The CAS registry number of Orb3213975 is 2260669-22-3.

What is the molecular formula and weight of Orb3213975?

The molecular formula of Orb3213975 is C27H44O5 and its molar mass is 448.64 g/mol.

Is Orb3213975 hazardous?

No GHS hazard classification for Orb3213975 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 Orb3213975?

Orb3213975 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 Orb3213975?

Post a free request on CompoundList and suppliers of Orb3213975 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3213975?

Suppliers quote Orb3213975 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 Orb3213975

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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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