Summary

Molecular formula: C30H42O6
SMILES: COC(=O)CC[C@@]1(C)[C@@H](CC(=O)C2=C1C(=O)C[C@]13[C@@]2(C)CC[C@@H]3[C@]2(C)CC[C@](OC1)(O2)CC)C(=C)C
InChI: InChI=1S/C30H42O6/c1-8-30-14-13-28(6,36-30)22-9-12-27(5)25-20(31)15-19(18(2)3)26(4,11-10-23(33)34-7)24(25)21(32)16-29(22,27)17-35-30/h19,22H,2,8-17H2,1,3-7H3/t19-,22+,26-,27-,28-,29-,30+/m0/s1
InChIKey: AZCYHVVCJDPVDB-MXYUDKIHSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC23COC4CCC(O4)C2CCC3C2=C1CCCC2=O

Scaffold Graph/Node level:
OC1CC23COC4CCC(O4)C2CCC3C2C(O)CCCC12

Scaffold Graph level:
CC1CC23CCC4CCC(C4)C2CCC3C2C(C)CCCC12

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Sesquiterpenoids

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Synonymous chemical names:
ganoboninketal b

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External chemical identifiers:
CID_118711171; NPATLAS_NPA001346; CHEMSPIDER_58112262; ZINC_ZINC000299824269

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Chemical structure download