Summary

Molecular formula: C27H38O9
SMILES: O=CC1=C[C@H](O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@]2([C@H](C[C@H]1OC(=O)C)C1=C(CC[C@@]1(C(=O)C2)C)C(C)C)C
InChI: InChI=1S/C27H38O9/c1-13(2)16-6-7-26(4)20(31)10-27(5)17(22(16)26)9-19(35-14(3)29)15(11-28)8-21(27)36-25-24(33)23(32)18(30)12-34-25/h8,11,13,17-19,21,23-25,30,32-33H,6-7,9-10,12H2,1-5H3/t17-,18-,19-,21+,23+,24-,25+,26-,27-/m1/s1
InChIKey: SRARCXKPZDYZMB-GYGNKXPFSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2C(OC3CCCCO3)C=CCCC2C2=CCCC12

Scaffold Graph/Node level:
OC1CC2C(OC3CCCCO3)CCCCC2C2CCCC12

Scaffold Graph level:
CC1CC2C(CC3CCCCC3)CCCCC2C2CCCC12

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Chemical classification

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

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Synonymous chemical names:
erinacine r

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External chemical identifiers:
CID_102392649; NPATLAS_NPA014310; CHEMSPIDER_28285699

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Chemical structure download