Summary

Molecular formula: C28H38O4
SMILES: O[C@H]1CCc2c(C1)c(C)c1c(c2)[C@]23CC[C@@H]([C@]3(C=C1)C)[C@@H]([C@@]1(O2)OC([C@H]([C@H]1O)C)(C)C)C
InChI: InChI=1S/C28H38O4/c1-15-20-9-11-26(6)22-10-12-27(26,23(20)13-18-7-8-19(29)14-21(15)18)32-28(16(22)2)24(30)17(3)25(4,5)31-28/h9,11,13,16-17,19,22,24,29-30H,7-8,10,12,14H2,1-6H3/t16-,17-,19-,22+,24+,26+,27-,28-/m0/s1
InChIKey: VBISPJCTWIICDB-RDCGBHQJSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C3CCC2(OC2(CCCO2)C3)c2cc3c(cc21)CCCC3

Scaffold Graph/Node level:
C1CCC2CC3C(CCC4C5CCC43OC3(CCCO3)C5)CC2C1

Scaffold Graph level:
C1CCC2CC3C(CCC4C5CCC43CC3(CCCC3)C5)CC2C1

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Chemical classification

Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Naphthopyrans

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Synonymous chemical names:
blazeispirol x

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External chemical identifiers:
CID_15885638; NPATLAS_NPA000088; CHEMSPIDER_78436241; ZINC_ZINC000196857539

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Chemical structure download