CAS 2364-23-0 | Stigmasta-5,25-dien-3-ol, (3β,24S)- | CAS Number 2364-23-0

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2364-23-0 | Stigmasta-5,25-dien-3-ol, (3β,24S)-

CAS No: 2364-23-0 Catalog No: AG002O07 MDL No:

Product Description

Catalog Number:

AG002O07

Chemical Name:

Stigmasta-5,25-dien-3-ol, (3β,24S)-

CAS Number:

2364-23-0

Molecular Formula:

C29H48O

Molecular Weight:

412.6908

IUPAC Name:

(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

InChI:

InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,20-21,23-27,30H,2,7-9,11-18H2,1,3-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1

InChI Key:

GHGKPLPBPGYSOO-FBZNIEFRSA-N

SMILES:

CC[C@H](C(=C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C

Properties

Complexity:

676

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

412.371g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

412.702g/mol

Monoisotopic Mass:

412.371g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

9.3

Literature

Title	Journal
Antitrypanosomal activity of triterpenoids and sterols from the leaves of Strychnos spinosa and related compounds.	Journal of natural products 20070801
DNA damaging activities of methanol extract of Ajuga postii and iridoid glucoside reptoside.	Natural product research 20050701