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Steroids and sterols

Lup-3-one

Also known as Lupan-3-one

CAS 3186-72-9Formula C30H50OMolar mass 426.73 g/mol
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Lup-3-one chemical structure, C30H50O, CAS 3186-72-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3186-72-9
Formula
C30H50O
Molar mass
426.73 g/mol
HS code
291429
Category
Steroids and sterols

What is Lup-3-one?

Plain description, key identifiers and synonyms

Lupan-3-one has been reported in Euphorbia cyparissias.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
CAS number
3186-72-9
Molecular formula
C30H50O
InChIKey
HEYPZYMGRBQTOH-BHMAJAPKSA-N
InChI
InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h19-23,25H,9-18H2,1-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1
Canonical SMILES
CC(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(=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@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C

Synonyms

  • Lupan-3-one

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
426.73 g/molcalc.
Exact mass
426.3862 Dacalc.
LogP (octanol/water)
8.31calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
31calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.97calc.
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, O=C1CCC2C(CCC3C2CCC2C4CCCC4CCC23)C1

O=C1CCC2C(CCC3C2CCC2C4CCCC4CCC23)C1

5 rings, 22 atoms.

27 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.

Lup-3-one suppliers

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Lup-3-one 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 Lup-3-one is traded under.

HS 2914.29Indicative HS code

Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other

World exports in 2024
$1B
+6.6% vs 2023, imports $980M
2019 to 2024
Top exporters
  1. China32.5%
  2. India * partner reported12.9%
  3. Germany12.3%
Top importers
  1. United States15.7%
  2. Japan8.7%
  3. Germany8.7%

* Partner reported figures, a lower bound.

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

The HS code shown for Lup-3-one is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Lup-3-one, based on the data on this page

What is Lup-3-one?

Lupan-3-one has been reported in Euphorbia cyparissias.

What is the CAS number of Lup-3-one?

The CAS registry number of Lup-3-one is 3186-72-9.

What is the molecular formula and weight of Lup-3-one?

The molecular formula of Lup-3-one is C30H50O and its molar mass is 426.73 g/mol.

Is Lup-3-one hazardous?

No GHS hazard classification for Lup-3-one 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 Lup-3-one?

Lup-3-one is usually classified under HS code 291429 (Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Lup-3-one?

Post a free request on CompoundList and suppliers of Lup-3-one will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Lup-3-one?

Suppliers quote Lup-3-one 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 Lup-3-one

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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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