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Steroids and sterols

Nummularogenin

Also known as Spirostan-2,12-dione, 3-hydroxy-, (3alpha,5alpha,25S)-, 3 alpha-hydroxy-5 alpha-spirostan-2,12-dione, 3alpha-Hydroxy-5alpha-spirostan-2,12-dione

CAS 94388-67-7Formula C27H40O5Molar mass 444.61 g/mol
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Nummularogenin chemical structure, C27H40O5, CAS 94388-67-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
94388-67-7
Formula
C27H40O5
Molar mass
444.61 g/mol
HS code
293299
Category
Steroids and sterols

What is Nummularogenin?

Plain description, key identifiers and synonyms

3alpha-Hydroxy-5alpha-spirostan-2,12-dione has been reported in Ziziphus nummularia.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10,15-dione
CAS number
94388-67-7
Molecular formula
C27H40O5
InChIKey
SSJCBJPSMYGDDE-ZADHDCGQSA-N
InChI
InChI=1S/C27H40O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/h14-20,22,24,28H,5-13H2,1-4H3/t14-,15-,16-,17+,18-,19-,20-,22-,24-,25-,26+,27+/m0/s1
Canonical SMILES
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)C(=O)CC5(C)C4CC(=O)C3(C)C1C2C
Isomeric SMILES
C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC(=O)[C@H](C6)O)C)C)C)OC1

Synonyms

  • Spirostan-2,12-dione, 3-hydroxy-, (3alpha,5alpha,25S)-
  • 3 alpha-hydroxy-5 alpha-spirostan-2,12-dione
  • 3alpha-Hydroxy-5alpha-spirostan-2,12-dione
  • (-)-Nummularogenin
  • (1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10,15-dione

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
444.61 g/molcalc.
Exact mass
444.2876 Dacalc.
LogP (octanol/water)
4.15calc.
Topological polar surface area
72.83 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
0calc.
Heavy atoms
32calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.93calc.
Formal charge
0calc.
Stereocentres
12calc.
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, O=C1CCC2CCC3C(CC(=O)C4C5CC6(CCCCO6)OC5CC34)C2C1

O=C1CCC2CCC3C(CC(=O)C4C5CC6(CCCCO6)OC5CC34)C2C1

6 rings, 27 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.

Nummularogenin suppliers

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Nummularogenin 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 Nummularogenin is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Nummularogenin?

3alpha-Hydroxy-5alpha-spirostan-2,12-dione has been reported in Ziziphus nummularia.

What is the CAS number of Nummularogenin?

The CAS registry number of Nummularogenin is 94388-67-7.

What is the molecular formula and weight of Nummularogenin?

The molecular formula of Nummularogenin is C27H40O5 and its molar mass is 444.61 g/mol.

Is Nummularogenin hazardous?

No GHS hazard classification for Nummularogenin 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 Nummularogenin?

Nummularogenin is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Nummularogenin?

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

What is the price of Nummularogenin?

Suppliers quote Nummularogenin 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

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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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