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Steroids and sterols

Orb1942699

CAS 1534433-74-3Formula C31H48O3Molar mass 468.72 g/mol
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Orb1942699 chemical structure, C31H48O3, CAS 1534433-74-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1534433-74-3
Formula
C31H48O3
Molar mass
468.72 g/mol
HS code
293220
Category
Steroids and sterols

What is Orb1942699?

Plain description, key identifiers and synonyms

Orb1942699 is a chemical substance with the molecular formula C31H48O3 and a molar mass of 468.72 g/mol. Its CAS registry number is 1534433-74-3. The IUPAC name is (3S,5R)-3-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-(3-methylbut-2-en-2-yl)oxolan-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,5R)-3-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-(3-methylbut-2-en-2-yl)oxolan-2-one
CAS number
1534433-74-3
Molecular formula
C31H48O3
InChIKey
QNIOIQFWRJSVOW-REZOKSADSA-N
InChI
InChI=1S/C31H48O3/c1-18(2)19(3)24-17-20(27(33)34-24)21-11-15-31(8)23-9-10-25-28(4,5)26(32)13-14-29(25,6)22(23)12-16-30(21,31)7/h20-21,24-26,32H,9-17H2,1-8H3/t20-,21+,24+,25-,26-,29+,30+,31-/m0/s1
Canonical SMILES
CC(C)=C(C)C1CC(C2CCC3(C)C4=C(CCC23C)C2(C)CCC(O)C(C)(C)C2CC4)C(=O)O1
Isomeric SMILES
CC(=C(C)[C@H]1C[C@H](C(=O)O1)[C@H]2CC[C@@]3([C@@]2(CCC4=C3CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)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
468.72 g/molcalc.
Exact mass
468.3603 Dacalc.
LogP (octanol/water)
7.38calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
34calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.84calc.
Formal charge
0calc.
Stereocentres
8calc.
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, O=C1OCCC1C1CCC2C3=C(CCC21)C1CCCCC1CC3

O=C1OCCC1C1CCC2C3=C(CCC21)C1CCCCC1CC3

5 rings, 23 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.

Orb1942699 suppliers

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Orb1942699 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 Orb1942699 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 Orb1942699 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1942699, based on the data on this page

What is Orb1942699?

Orb1942699 is a chemical substance with the molecular formula C31H48O3 and a molar mass of 468.72 g/mol. Its CAS registry number is 1534433-74-3.

What is the CAS number of Orb1942699?

The CAS registry number of Orb1942699 is 1534433-74-3.

What is the molecular formula and weight of Orb1942699?

The molecular formula of Orb1942699 is C31H48O3 and its molar mass is 468.72 g/mol.

Is Orb1942699 hazardous?

No GHS hazard classification for Orb1942699 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 Orb1942699?

Orb1942699 is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1942699?

Post a free request on CompoundList and suppliers of Orb1942699 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1942699?

Suppliers quote Orb1942699 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 Orb1942699

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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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