Summary

Molecular formula: C30H48O5
SMILES: CC(CCC[C@H](C1CC[C@@]2([C@]1(C)CC[C@]13[C@@]2(CCC2[C@]3(C)CCC(=O)OC2(C)C)O1)C)C(=O)O)C
InChI: InChI=1S/C30H48O5/c1-19(2)9-8-10-20(24(32)33)21-11-15-28(7)26(21,5)17-18-29-27(6)14-13-23(31)34-25(3,4)22(27)12-16-30(28,29)35-29/h19-22H,8-18H2,1-7H3,(H,32,33)/t20-,21?,22?,26-,27+,28-,29+,30+/m1/s1
InChIKey: NFGIXKPDIYJFHW-PENNDKJGSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C(CCC34OC23CCC2CCCC24)CO1

Scaffold Graph/Node level:
OC1CCC2C(CCC34OC23CCC2CCCC24)CO1

Scaffold Graph level:
CC1CCC2CCC34CC3(CCC3CCCC34)C2CC1

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Chemical classification

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

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Synonymous chemical names:
3,4-seco-8α,9α-epoxy-5α-lanosta-21-oic acid 3,4 lactone

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Chemical structure download