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Sebiferic acid

PropertiesImage
MNX_IDMNXM130558 Image of MNXM130558
referencechebi:197172
formulaC30H48O2
global charge0
mol weight440.712
InChIKeySTWHPCOPDBFRNW-UHFFFAOYSA-N
InChIInChI=1S/C30H48O2/c1-19(2)21-11-15-28(6)23(21)13-18-30(8)25(28)10-9-24-27(5,16-14-26(31)32)22(20(3)4)12-17-29(24,30)7/h21-25H,1,3,9-18H2,2,4-8H3,(H,31,32)
SMILESC=C(C)C1CCC2(C)C1CCC1(C)C2CCC2C(C)(CCC(=O)O)C(C(=C)C)CCC21C
MNX internals
InChI (mnx)InChI=1/C30H48O2/c1-19(2)21-11-15-28(6)23(21)13-18-30(8)25(28)10-9-24-27(5,16-14-26(31)32)22(20(3)4)12-17-29(24,30)7/h21-25H,1,3,9-18H2,2,4-8H3,(H,31,32)/t21?,22?,23?,24?,25?,27?,28?,29?,30? Image of MNXM130558
SMILES (mnx)[CH2:1]=[C:19]([CH3:2])[CH:21]1[CH2:11][CH2:15][C:28]2([CH3:6])[CH:23]1[CH2:13][CH2:18][C:30]1([CH3:8])[CH:25]2[CH2:10][CH2:9][CH:24]2[C:27]([CH3:5])([CH2:16][CH2:14][C:26](=[O:31])[OH:32])[CH:22]([C:20](=[CH2:3])[CH3:4])[CH2:12][CH2:17][C:29]21[CH3:7]
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:197172
chebi:197172
STWHPCOPDBFRNW-UHFFFAOYSA-N 		Sebiferic acid
3-[4,9,10,14-tetramethyl-3,17-bis(prop-1-en-2-yl)-2,3,5,6,7,8,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid
hmdb:HMDB0036774
STWHPCOPDBFRNW-UHFFFAOYSA-N 		Sebiferic acid
3-[1,2,6,11-Tetramethyl-5,14-bis(prop-1-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-6-yl]propanoate
3-[1,2,6,11-tetramethyl-5,14-bis(prop-1-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-6-yl]propanoic acid
Sebiferate

hmdb:HMDB36774 		secondary/obsolete/fantasy identifier