Summary

Molecular formula: C30H42O7
SMILES: O=C(CC([C@H]1CC(=O)[C@@]2([C@]1(C)C(=O)C=C1[C@]32O[C@@H]3C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)CC(C(=O)O)C
InChI: InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)25(35)36)18-12-23(34)29(7)28(18,6)22(33)13-20-27(5)9-8-21(32)26(3,4)19(27)14-24-30(20,29)37-24/h13,15-16,18-19,21,24,32H,8-12,14H2,1-7H3,(H,35,36)/t15?,16?,18-,19+,21+,24-,27+,28+,29-,30+/m1/s1
InChIKey: GMHGOWUWKOOSRY-NHDANXDOSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C3CCCCC3CC3OC23C2C(=O)CCC12

Scaffold Graph/Node level:
OC1CC2C3CCCCC3CC3OC32C2C(O)CCC12

Scaffold Graph level:
CC1CC2C3CCCCC3CC3CC32C2C(C)CCC12

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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:
applanoxidic acid d

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External chemical identifiers:
NPATLAS_NPA004521; CHEMSPIDER_78442534

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Chemical structure download