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triptohypol F

Properties

Image

Occurences in reactions

MNX_ID

MNXM145073

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

formula

C₃₁H₅₂O₂

charge

mass

456.39673

reference

chebi:132343

InChIKey

VKGXBRHZFJRMOC-BCZIGNCTSA-N

InChI

InChI=1S/C31H52O2/c1-26(2)14-15-28(5)16-17-30(7)20(21(28)19-26)18-22(33-9)25-29(6)12-11-24(32)27(3,4)23(29)10-13-31(25,30)8/h18,21-25,32H,10-17,19H2,1-9H3/t21-,22+,23-,24-,25+,28+,29-,30+,31+/m0/s1

SMILES

CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:132343 chebi:132343	triptohypol F (3beta,11alpha)-11-methoxyolean-12-en-3-ol 11-Methoxy-12-oleanen-3-ol 11alpha-methoxyolean-12-en-3beta-ol 3beta-hydroxy-11alpha-methoxyolean-12-ene
hmdb:HMDB0035495	Triptohypol F 11-Methoxy-12-oleanen-3-ol 14-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol 14-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
hmdb:HMDB35495	secondary/obsolete/fantasy identifier