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Screening compounds

Bufospirostenin A

Also known as (1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16S)-7,9,13-trimethyl-5'-methylidenespiro(5-oxapentacyclo(10.8.0.02,9.04,8.014,18)icos-18-ene-6,2'-oxane)-13,16-diol, (1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16S)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.014,18]icos-18-ene-6,2'-oxane]-13,16-diol

CAS 2097252-84-9Formula C27H40O4Molar mass 428.61 g/mol
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Bufospirostenin A chemical structure, C27H40O4, CAS 2097252-84-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2097252-84-9
Formula
C27H40O4
Molar mass
428.61 g/mol
HS code
293299
Category
Screening compounds

What is Bufospirostenin A?

Plain description, key identifiers and synonyms

Bufospirostenin A is a chemical substance with the molecular formula C27H40O4 and a molar mass of 428.61 g/mol. Its CAS registry number is 2097252-84-9. The IUPAC name is (1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16S)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.014,18]icos-18-ene-6,2'-oxane]-13,16-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16S)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.014,18]icos-18-ene-6,2'-oxane]-13,16-diol
CAS number
2097252-84-9
Molecular formula
C27H40O4
InChIKey
LANURVLXXUHGAU-REBNKZOFSA-N
InChI
InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)13-22-19-6-5-17-11-18(28)12-21(17)26(4,29)20(19)8-9-25(22,24)3/h5,16,18-24,28-29H,1,6-14H2,2-4H3/t16-,18+,19+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1
Canonical SMILES
C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC5C(C)(O)C4CCC3(C)C1C2C
Isomeric SMILES
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5C[C@H](C[C@H]5[C@]4(C)O)O)C)O[C@]16CCC(=C)CO6

Synonyms

  • (1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16S)-7,9,13-trimethyl-5'-methylidenespiro(5-oxapentacyclo(10.8.0.02,9.04,8.014,18)icos-18-ene-6,2'-oxane)-13,16-diol
  • (1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16S)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.014,18]icos-18-ene-6,2'-oxane]-13,16-diol

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
428.61 g/molcalc.
Exact mass
428.2927 Dacalc.
LogP (octanol/water)
4.6calc.
Topological polar surface area
58.92 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
0calc.
Heavy atoms
31calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.85calc.
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, C=C1CCC2(CC3C(CC4C5CC=C6CCCC6CC5CCC34)O2)OC1

C=C1CCC2(CC3C(CC4C5CC=C6CCCC6CC5CCC34)O2)OC1

6 rings, 26 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.

Bufospirostenin A suppliers

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Bufospirostenin A price

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Uses and applications

What the substance is used for, by industry and function

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

Frequently asked questions

Quick answers about Bufospirostenin A, based on the data on this page

What is Bufospirostenin A?

Bufospirostenin A is a chemical substance with the molecular formula C27H40O4 and a molar mass of 428.61 g/mol. Its CAS registry number is 2097252-84-9.

What is the CAS number of Bufospirostenin A?

The CAS registry number of Bufospirostenin A is 2097252-84-9.

What is the molecular formula and weight of Bufospirostenin A?

The molecular formula of Bufospirostenin A is C27H40O4 and its molar mass is 428.61 g/mol.

What is Bufospirostenin A used for?

Known uses and roles of Bufospirostenin A include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Bufospirostenin A hazardous?

No GHS hazard classification for Bufospirostenin A 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 Bufospirostenin A?

Bufospirostenin A 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 Bufospirostenin A?

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

What is the price of Bufospirostenin A?

Suppliers quote Bufospirostenin A 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 Bufospirostenin A

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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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