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Dihydrocucurbitacin B

Dihydrocucurbitacin B structure

CAS No:
13201-14-4
Formula:
C32H48O8
Chemical Name:
Dihydrocucurbitacin B
Synonyms:
19-Norlanost-5-ene-3,11,22-trione,25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-,(2β,9β,10α,16α)-;19-Nor-9β,10α-lanost-5-ene-3,11,22-trione,2β,16α,20,25-tetrahydroxy-9-methyl-,25-acetate;Cucurbitacin B,dihydro-;(2β,9β,10α,16α)-25-(Acetyloxy)-2,16,20-trihydroxy-9-methyl-19-norlanost-5-ene-3,11,22-trione;Dihydrocucurbitacin B;23,24-Dihydrocucurbitacin B;NSC 106401;21284-12-8
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Dihydrocucurbitacin B, a triterpene isolated from Cayaponia tayuya roots, inhibits nuclear factor of activated T cells (NFAT), induces cell cycle arrested in the G0 phase, and inhibits delayed type hypersensitivity[1].

23,24-dihydrocucurbitacin B is a 23,24-dihydrocucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at position 5; a hydroxy function at C-25 is acetylated. It is a 23,24-dihydrocucurbitacin, a secondary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It derives from a cucurbitacin B.

Dihydrocucurbitacin B Basic Attributes

Molecular Weight：

560.728

Exact Mass：

560.72

UNII：

ZYL5IKR83R

NSC Number：

106401

Characteristics

PSA：

138.20000

XLogP3：

2.56

Density：

1.2±0.1 g/cm3

Melting Point：

110-115 °C

Boiling Point：

692.2±55.0 °C at 760 mmHg

Flash Point：

215.4±25.0 °C

Refractive Index：

1.559

Drug Information

MeSH Entry Terms：

dihydrocucurbitacin B

Computed Properties

Molecular Weight:560.7
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:560.33491849
Monoisotopic Mass:560.33491849
Topological Polar Surface Area:138
Heavy Atom Count:40
Complexity:1170
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes