Summary

Molecular formula: C28H36O6
SMILES: O=C1CC[C@]2(C(=C1)C(=O)C=C1[C@]2(O)C=C[C@]2([C@@]31CC[C@@H]2[C@@H]([C@@]1(O3)OC([C@H]([C@H]1O)C)(C)C)C)C)C
InChI: InChI=1S/C28H36O6/c1-15-18-8-10-27(34-28(15)22(31)16(2)23(3,4)33-28)21-14-20(30)19-13-17(29)7-9-24(19,5)26(21,32)12-11-25(18,27)6/h11-16,18,22,31-32H,7-10H2,1-6H3/t15?,16-,18+,22+,24-,25+,26+,27-,28-/m0/s1
InChIKey: FIPQOHZMDJGHRY-PULCUEGVSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C(=O)C=C3C(C=CC4C5CCC34OC3(CCCO3)C5)C2CC1

Scaffold Graph/Node level:
OC1CCC2C(C1)C(O)CC1C2CCC2C3CCC21OC1(CCCO1)C3

Scaffold Graph level:
CC1CCC2C(C1)C(C)CC1C2CCC2C3CCC21CC1(CCCC1)C3

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Chemical classification

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

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Synonymous chemical names:
blazeispirol y

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External chemical identifiers:
NPATLAS_NPA009649; CHEMSPIDER_78437403

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Chemical structure download