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Steroids and sterols

Semialactone

CAS 366450-46-6Formula C30H44O4Molar mass 468.68 g/mol
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Semialactone chemical structure, C30H44O4, CAS 366450-46-6
2D chemical structure

Key facts

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All properties
CAS number
366450-46-6
Formula
C30H44O4
Molar mass
468.68 g/mol
HS code
293220
Category
Steroids and sterols

What is Semialactone?

Plain description, key identifiers and synonyms

(6S)-6-{1-[(1S,2S,5R,6S,9R,10R,13R,15S)-15-hydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadecan-6-yl]ethenyl}-3-methyl-5,6-dihydropyran-2-one has been reported in Brucea javanica.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[1-[(1S,2S,5R,6S,9R,10R,13R,15S)-15-hydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecan-6-yl]ethenyl]-5-methyl-2,3-dihydropyran-6-one
CAS number
366450-46-6
Molecular formula
C30H44O4
InChIKey
GNMZYIRHZHRDGC-GJHSOGOJSA-N
InChI
InChI=1S/C30H44O4/c1-18-7-9-22(34-25(18)31)19(2)20-11-13-27(5)21(20)8-10-24-28(27,6)14-12-23-26(3,4)30(32)16-15-29(23,24)17-33-30/h7,20-24,32H,2,8-17H2,1,3-6H3/t20-,21-,22+,23+,24+,27-,28-,29-,30+/m1/s1
Canonical SMILES
C=C(C1CC=C(C)C(=O)O1)C1CCC2(C)C1CCC1C34CCC(O)(OC3)C(C)(C)C4CCC12C
Isomeric SMILES
CC1=CC[C@H](OC1=O)C(=C)[C@H]2CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@]46CC[C@@](C5(C)C)(OC6)O)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
468.68 g/molcalc.
Exact mass
468.324 Dacalc.
LogP (octanol/water)
6.19calc.
Topological polar surface area
55.76 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
34calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.83calc.
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, C=C(C1CC=CC(=O)O1)C1CCC2C1CCC1C2CCC2CC3CCC21CO3

C=C(C1CC=CC(=O)O1)C1CCC2C1CCC1C2CCC2CC3CCC21CO3

7 rings, 28 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.

Semialactone suppliers

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

Frequently asked questions

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

What is Semialactone?

(6S)-6-{1-[(1S,2S,5R,6S,9R,10R,13R,15S)-15-hydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadecan-6-yl]ethenyl}-3-methyl-5,6-dihydropyran-2-one has been reported in Brucea javanica.

What is the CAS number of Semialactone?

The CAS registry number of Semialactone is 366450-46-6.

What is the molecular formula and weight of Semialactone?

The molecular formula of Semialactone is C30H44O4 and its molar mass is 468.68 g/mol.

Is Semialactone hazardous?

No GHS hazard classification for Semialactone 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 Semialactone?

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

Where can I buy Semialactone?

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

What is the price of Semialactone?

Suppliers quote Semialactone 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 Semialactone

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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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