Summary

Molecular formula: C30H44O7
SMILES: OC(=O)/C(=C/CC[C@@](C1C[C@@H]([C@@]2([C@]1(C)CC(=O)C1=C2C(=O)CC2[C@]1(C)CC[C@@H](C2(C)C)O)C)O)(O)C)/C
InChI: InChI=1S/C30H44O7/c1-16(25(35)36)9-8-11-29(6,37)20-14-22(34)30(7)24-17(31)13-19-26(2,3)21(33)10-12-27(19,4)23(24)18(32)15-28(20,30)5/h9,19-22,33-34,37H,8,10-15H2,1-7H3,(H,35,36)/b16-9+/t19?,20?,21-,22-,27-,28+,29-,30-/m0/s1
InChIKey: JUPXTLOMXSPQGX-BTAJHMEGSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCCC2C2=C1C1CCCC1CC2=O

Scaffold Graph/Node level:
OC1CC2CCCC2C2C(O)CC3CCCCC3C12

Scaffold Graph level:
CC1CC2CCCC2C2C(C)CC3CCCCC3C12

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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:
resinacein e

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External chemical identifiers:
CID_139590934; NPATLAS_NPA023679; CHEMSPIDER_78442395

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Chemical structure download