Summary

Molecular formula: C21H24O3
SMILES: O=CC1=C[C@]23[C@@]4(CC1)[C@@H](C3(C)C)CC[C@@]4(C)Oc1c2cc(O)cc1
InChI: InChI=1S/C21H24O3/c1-18(2)17-7-8-19(3)20(17)9-6-13(12-22)11-21(18,20)15-10-14(23)4-5-16(15)24-19/h4-5,10-12,17,23H,6-9H2,1-3H3/t17-,19-,20+,21+/m1/s1
InChIKey: TXSOHFJAYYPXHN-PBASOCQRSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CC4CCC(Oc5ccccc52)C43CC1

Scaffold Graph/Node level:
C1CCC2C(C1)OC1CCC3CC24CCCCC314

Scaffold Graph level:
C1CCC2C(C1)CC1CCC3CC24CCCCC134

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Chemical classification

Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Benzopyrans
Sub class: 1-benzopyrans

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Synonymous chemical names:
(−)-cochlearol b

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External chemical identifiers:
NPATLAS_NPA014750

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Chemical structure download