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Hecogenin acetate

Hecogenin acetate structure

CAS No:
915-35-5
Formula:
C29H44O5
Chemical Name:
Hecogenin acetate
Synonyms:
Spirostan-12-one,3-(acetyloxy)-,(3β,5α,25R)-;5α-Spirostan-12-one,3β-hydroxy-,acetate,(25R)-;5α,25D-Spirostan-12-one,3β-hydroxy-,acetate;Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran],spirostan-12-one deriv.;(3β,5α,25R)-3-(Acetyloxy)spirostan-12-one;Hecogenin acetate;3β-Acetoxy-5α-spirostan-12-one;NSC 15489;11034-95-0;27040-14-8;72341-18-5
Categories:
Organic Chemistry > Quinones

Description

Hecogenin acetate is a steroidal sapogenin-acetylated with anti-inflammatory and antinociceptive. Hecogenin acetate shows potential antihyperalgesic activity, inhibiting descending pain and acting in opioid receptors[1][2].

HECOGENIN ACETATE is a triterpenoid.

Hecogenin acetate Basic Attributes

Molecular Weight：

472.65700

Exact Mass：

472.66

EC Number：

213-021-7

UNII：

5K0WKD513R

NSC Number：

15489

Characteristics

PSA：

61.83000

XLogP3：

5.54360

Density：

1.15g/cm3

Melting Point：

246-248 °C @ Solvent: Methanol, Ethyl acetate

Boiling Point：

95-140 °C

Flash Point：

264.7ºC

Collision Cross Section：

223.4 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

wgk germany：

safety instructions：

S22-S24/25

Drug Information

MeSH Entry Terms：

(3beta,5alpha,25R)-12-oxospirostan-3-yl acetate

Computed Properties

Molecular Weight:472.7
XLogP3:5.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:472.31887450
Monoisotopic Mass:472.31887450
Topological Polar Surface Area:61.8
Heavy Atom Count:34
Complexity:871
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Hecogenin acetate

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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HECOGENINACETATE

CAS No.: 915-35-5

Grade: Pharmaceutical Grade

Content: 99%

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