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rel-2alpha,3beta,23-trihydroxy-12,17-dien-28-norursane

Properties

Image

Occurences in reactions

MNX_ID

MNXM108517

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₉H₄₆O₃

charge

mass

442.3447

reference

chebi:67908

InChIKey

RATDBJVTTWMKNB-PRDJCCBUSA-N

InChI

InChI=1S/C29H46O3/c1-17-7-8-19-11-13-28(5)20(24(19)18(17)2)9-10-23-26(3)15-21(31)25(32)27(4,16-30)22(26)12-14-29(23,28)6/h9,17-18,21-23,25,30-32H,7-8,10-16H2,1-6H3/t17-,18+,21-,22-,23-,25+,26+,27+,28-,29-/m1/s1

SMILES

C[C@@H]1C2=C(CC[C@H]1C)CC[C@]1(C)C2=CC[C@@H]2[C@@]3(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]3CC[C@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67908 chebi:67908	rel-2alpha,3beta,23-trihydroxy-12,17-dien-28-norursane rel-(2R,3R,4R,4aR,6aR,6bS,11R,12S,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,14,14a,14b-octadecahydropicene-2,3-diol