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Alisol B

PropertiesImage
MNX_IDMNXM40709 Image of MNXM40709
referencechebi:81104
formulaC30H48O4
global charge0
mol weight472.71
InChIKeyGBJKHDVRXAVITG-UNPOXIGHSA-N
InChIInChI=1S/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
SMILESC[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
MNX internals
InChI (mnx)InChI=1/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1 Image of MNXM40709
SMILES (mnx)[CH3:1][C@H:17]([CH2:15][C@@H:21]([C@@H:25]1[C:27]([CH3:4])([CH3:5])[O:34]1)[OH:32])[C:18]1=[C:19]2[CH2:16][C@H:20]([OH:31])[C@H:24]3[C@@:28]4([CH3:6])[CH2:12][CH2:11][C:23](=[O:33])[C:26]([CH3:2])([CH3:3])[C@@H:22]4[CH2:10][CH2:14][C@:30]3([CH3:8])[C@@:29]2([CH3:7])[CH2:13][CH2:9]1
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

seed.compound:cpd17588
seedM:cpd17588
CHEBI:81104
chebi:81104
kegg.compound:C17460
keggC:C17460
GBJKHDVRXAVITG-UNPOXIGHSA-N 		Alisol B
hmdb:HMDB0248141
GBJKHDVRXAVITG-UHFFFAOYSA-N 		Alisol B
14-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-17-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-14-en-5-one

keggC:M_C17460
seedM:M_cpd17588 		secondary/obsolete/fantasy identifier