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Arnidenediol

PropertiesImage
MNX_IDMNXM119348 Image of MNXM119348
referencechebi:191977
formulaC30H50O2
global charge0
mol weight442.728
InChIKeyIOPDFSGGBHSXSV-IMLFCHQCSA-N
InChIInChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20-,21+,22-,23+,24+,25-,27+,28-,29-,30-/m1/s1
SMILESC=C1CC[C@@]2(C)[C@H]([C@@H]1C)[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O
MNX internals
InChI (mnx)InChI=1/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20-,21+,22-,23+,24+,25-,27+,28-,29-,30-/m1/s1 Image of MNXM119348
SMILES (mnx)[CH2:1]=[C:18]1[CH2:11][CH2:14][C@:28]2([CH3:6])[C@@H:24]([OH:32])[CH2:17][C@:30]3([CH3:8])[C@H:20]([CH2:9][CH2:10][C@@H:22]4[C@@:27]5([CH3:5])[CH2:15][CH2:13][C@H:23]([OH:31])[C:26]([CH3:3])([CH3:4])[C@@H:21]5[CH2:12][CH2:16][C@:29]43[CH3:7])[C@H:25]2[C@@H:19]1[CH3:2]
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:191977
chebi:191977
IOPDFSGGBHSXSV-IMLFCHQCSA-N 		Arnidenediol
(3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,8-diol
hmdb:HMDB0035401
IOPDFSGGBHSXSV-UHFFFAOYSA-N 		Arnidenediol
4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-docosahydropicene-3,8-diol
4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-hexadecahydropicene-3,8-diol
Arnidiol

hmdb:HMDB35401 		secondary/obsolete/fantasy identifier