Summary

Molecular formula: C31H44O8
SMILES: COC(=O)C(C(C(=O)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2C(=O)CC2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)O)C
InChI: InChI=1S/C31H44O8/c1-15(11-19(33)26(37)16(2)27(38)39-8)17-12-23(36)31(7)25-18(32)13-21-28(3,4)22(35)9-10-29(21,5)24(25)20(34)14-30(17,31)6/h15-17,21-22,26,35,37H,9-14H2,1-8H3/t15-,16?,17-,21?,22+,26?,29+,30-,31+/m1/s1
InChIKey: KSJXBRQBEVKVDR-RSCSFWRXSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCC(=O)C2C2=C1C1CCCCC1CC2=O

Scaffold Graph/Node level:
OC1CCC2CC(O)C3C4CCCCC4CC(O)C3C12

Scaffold Graph level:
CC1CCC2CC(C)C3C4CCCCC4CC(C)C3C12

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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 q

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External chemical identifiers:
CID_139590945; NPATLAS_NPA023691; CHEMSPIDER_78445651

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Chemical structure download