Summary

Molecular formula: C28H44O7
SMILES: CC(C([C@@H]([C@@H]1O[C@@H]2[C@H]([C@@]1(C)O)[C@@]1([C@](C2)(O)C2=CC(=O)[C@H]3[C@]([C@H]2CC1)(C)C[C@@H]([C@@H](C3)O)O)C)O)C)C
InChI: InChI=1S/C28H44O7/c1-13(2)14(3)22(32)24-27(6,33)23-21(35-24)12-28(34)16-9-18(29)17-10-19(30)20(31)11-25(17,4)15(16)7-8-26(23,28)5/h9,13-15,17,19-24,30-34H,7-8,10-12H2,1-6H3/t14?,15-,17-,19+,20-,21-,22-,23-,24-,25+,26+,27+,28+/m0/s1
InChIKey: WLJSJUHWAWNUMY-TWQLGMOSSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C(CCC3C2CC2OCCC23)C2CCCCC12

Scaffold Graph/Node level:
OC1CC2C(CCC3C4CCOC4CC32)C2CCCCC12

Scaffold Graph level:
CC1CC2C(CCC3C4CCCC4CC32)C2CCCCC12

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Ecdysteroids

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Synonymous chemical names:
polyporoid a

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External chemical identifiers:
CID_44450022; NPATLAS_NPA004072; CHEMSPIDER_28942433

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Chemical structure download