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cabraleone

PropertiesImage
MNX_IDMNXM103367 Image of MNXM103367
referencechebi:70464
formulaC30H50O3
global charge0
mol weight458.727
InChIKeyXSQYWMLMQVUWSF-FXFLHSNUSA-N
InChIInChI=1S/C30H50O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-22,24,32H,9-18H2,1-8H3/t19-,20+,21+,22-,24+,27+,28-,29-,30+/m1/s1
SMILESCC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1
MNX internals
InChI (mnx)InChI=1/C30H50O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-22,24,32H,9-18H2,1-8H3/t19-,20+,21+,22-,24+,27+,28-,29-,30+/m1/s1 Image of MNXM103367
SMILES (mnx)[CH3:1][C:25]1([CH3:2])[C@@H:21]2[CH2:12][CH2:17][C@:29]3([CH3:7])[C@H:22]([CH2:10][CH2:9][C@@H:19]4[C@@H:20]([C@:30]5([CH3:8])[CH2:18][CH2:14][C@@H:24]([C:26]([CH3:3])([CH3:4])[OH:32])[O:33]5)[CH2:11][CH2:16][C@:28]43[CH3:6])[C@@:27]2([CH3:5])[CH2:15][CH2:13][C:23]1=[O:31]
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:70464
chebi:70464
XSQYWMLMQVUWSF-FXFLHSNUSA-N 		cabraleone
(24S)-25-hydroxy-20,24-epoxydammaran-3-one