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Theasapogenol A

PropertiesImage
MNX_IDMNXM144765 Image of MNXM144765
referencechebi:167962
formulaC30H50O6
global charge0
mol weight506.724
InChIKeyVKJLHZZPVLQJKG-UHFFFAOYSA-N
InChIInChI=1S/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3
SMILESCC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3/t18?,19?,20?,21?,22?,23?,24?,26?,27?,28?,29?,30? Image of MNXM144765
SMILES (mnx)[CH3:1][C:25]1([CH3:2])[CH2:13][CH:18]2[C:17]3=[CH:7][CH2:8][CH:20]4[C:26]5([CH3:3])[CH2:11][CH2:10][CH:21]([OH:33])[C:27]([CH3:4])([CH2:15][OH:31])[CH:19]5[CH2:9][CH2:12][C:28]4([CH3:5])[C:29]3([CH3:6])[CH2:14][CH:22]([OH:34])[C:30]2([CH2:16][OH:32])[CH:24]([OH:36])[CH:23]1[OH:35]
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:167962
chebi:167962
VKJLHZZPVLQJKG-UHFFFAOYSA-N 		Theasapogenol A
4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
Olean-12-ene-3,16,21,22,23,28-hexol
hmdb:HMDB0034519
VKJLHZZPVLQJKG-UHFFFAOYSA-N 		Theasapogenol A
4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,5,10-tetrol
4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-3,4,5,10-tetrol
Protoescigenin

hmdb:HMDB34519 		secondary/obsolete/fantasy identifier