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aglaiabbreviatin C

PropertiesImage
MNX_IDMNXM102393 Image of MNXM102393
referencechebi:70264
formulaC24H40O2
global charge0
mol weight360.582
InChIKeyGRVOAMBHUWXGTO-NICZXZAASA-N
InChIInChI=1S/C24H40O2/c1-15(25)16-9-13-23(5)17(16)7-8-19-22(4)12-11-20(26)21(2,3)18(22)10-14-24(19,23)6/h16-20,26H,7-14H2,1-6H3/t16-,17-,18+,19-,20-,22+,23-,24-/m1/s1
SMILESCC(=O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H40O2/c1-15(25)16-9-13-23(5)17(16)7-8-19-22(4)12-11-20(26)21(2,3)18(22)10-14-24(19,23)6/h16-20,26H,7-14H2,1-6H3/t16-,17-,18+,19-,20-,22+,23-,24-/m1/s1 Image of MNXM102393
SMILES (mnx)[CH3:1][C:15]([C@H:16]1[CH2:9][CH2:13][C@:23]2([CH3:5])[C@@H:17]1[CH2:7][CH2:8][C@@H:19]1[C@@:22]3([CH3:4])[CH2:12][CH2:11][C@@H:20]([OH:26])[C:21]([CH3:2])([CH3:3])[C@@H:18]3[CH2:10][CH2:14][C@:24]12[CH3:6])=[O:25]
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:70264
chebi:70264
GRVOAMBHUWXGTO-NICZXZAASA-N
aglaiabbreviatin C
(3alpha,5alpha)-3-hydroxy-4,4,8,14-tetramethyl-18-norpregnan-20-one