Summary

Molecular formula: C34H54O8
SMILES: OCC1OC(O[C@H]2CC[C@]3([C@]4(C2)OO[C@]2(C3CC[C@]3(C2CC[C@@H]3[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C=C4)C)C(C(C1O)O)O
InChI: InChI=1S/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/b8-7+/t20-,21+,22-,23+,24?,25?,26?,27?,28?,29?,30?,31+,32+,33-,34+/m0/s1
InChIKey: CKJZKFPVVUQBMB-AOHVSNAWSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23OOC14CC(OC1CCCCO1)CCC4C2CCC1CCCC13

Scaffold Graph/Node level:
C1CCC(OC2CCC3C4CCC5CCCC5C45CCC3(C2)OO5)OC1

Scaffold Graph level:
C1CCC(CC2CCC3C4CCC5CCCC5C45CCC3(CC5)C2)CC1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Steroidal glycosides

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Synonymous chemical names:
5α,8α-epidioxy-24(r)-methylcholesta-6,22-dien-3β-d-glucopyranoside

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External chemical identifiers:
NPATLAS_NPA006344

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Chemical structure download