Summary

Molecular formula: C30H40O6
SMILES: C[C@H]1C[C@@H](OC1=O)C=C([C@H]1C[C@H]([C@@]2([C@]1(C)C(=O)C=C1[C@]32O[C@@H]3C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)C
InChI: InChI=1S/C30H40O6/c1-15(10-17-11-16(2)25(34)35-17)18-12-23(33)29(7)28(18,6)22(32)13-20-27(5)9-8-21(31)26(3,4)19(27)14-24-30(20,29)36-24/h10,13,16-19,23-24,33H,8-9,11-12,14H2,1-7H3/t16-,17-,18+,19-,23+,24+,27-,28-,29+,30-/m0/s1
InChIKey: DBCOZDMIVDWFEY-UDIMBENTSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=CC(=O)C4C(C=CC5CCC(=O)O5)CCC4C34OC4CC2C1

Scaffold Graph/Node level:
OC1CCC2C(C1)CC1OC13C2CC(O)C1C(CCC2CCC(O)O2)CCC13

Scaffold Graph level:
CC1CCC(CCC2CCC3C2C(C)CC2C4CCC(C)CC4CC4CC423)C1

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Chemical classification

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

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Synonymous chemical names:
gibbosicolid d

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External chemical identifiers:
CID_145721196; NPATLAS_NPA025433

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Chemical structure download