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marianine

PropertiesImage
MNX_IDMNXM106463 Image of MNXM106463
referencechebi:66673
formulaC31H50O3
global charge0
mol weight470.738
InChIKeyUVPFSDRHWXKUSF-FRIHGVDDSA-N
InChIInChI=1S/C31H50O3/c1-19(10-11-20(2)28(5,6)34)21-12-17-31(9)26-22(13-16-30(21,31)8)29(7)15-14-25(33)27(3,4)24(29)18-23(26)32/h19,21,24-25,33-34H,2,10-18H2,1,3-9H3/t19-,21-,24+,25+,29-,30-,31+/m1/s1
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)C(C)(C)O
MNX internals
InChI (mnx)InChI=1/C31H50O3/c1-19(10-11-20(2)28(5,6)34)21-12-17-31(9)26-22(13-16-30(21,31)8)29(7)15-14-25(33)27(3,4)24(29)18-23(26)32/h19,21,24-25,33-34H,2,10-18H2,1,3-9H3/t19-,21-,24+,25+,29-,30-,31+/m1/s1 Image of MNXM106463
SMILES (mnx)[CH3:1][C@H:19]([CH2:10][CH2:11][C:20](=[CH2:2])[C:28]([CH3:5])([CH3:6])[OH:34])[C@H:21]1[CH2:12][CH2:17][C@@:31]2([CH3:9])[C:26]3=[C:22]([CH2:13][CH2:16][C@:30]12[CH3:8])[C@@:29]1([CH3:7])[CH2:15][CH2:14][C@H:25]([OH:33])[C:27]([CH3:3])([CH3:4])[C@@H:24]1[CH2:18][C:23]3=[O:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:66673
chebi:66673
UVPFSDRHWXKUSF-FRIHGVDDSA-N 		marianine
(3beta)-3,25-dihydroxy-24-methylidenelanost-8-en-7-one
24-methylene-7-oxo-lanosta-8(9)-3beta,25-diol