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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007661

(3I(2),21I(2))-Aa(2)-Neogammacer-22(30)-ene-3,29-diol

Formula: C30H50O2  |  Mol. Weight: 442.70 g/mol

IUPAC: (3R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3-(3-hydroxyprop-1-en-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol

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Overview

Molecular Formula C30H50O2
Molecular Weight 442.70 g/mol
Canonical SMILES CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC5C4(CCC5C(=C)CO)C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy