Summary

Molecular formula: C28H44O7
SMILES: O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1O)C(=O)C=C1[C@@H]2CC[C@]2([C@@]1(O)CC[C@@H]2[C@]([C@@H]([C@@H]1OC[C@H]([C@@H]1C)C)O)(O)C)C
InChI: InChI=1S/C28H44O7/c1-14-13-35-23(15(14)2)24(32)27(5,33)22-7-9-28(34)17-10-19(29)18-11-20(30)21(31)12-25(18,3)16(17)6-8-26(22,28)4/h10,14-16,18,20-24,30-34H,6-9,11-13H2,1-5H3/t14-,15+,16+,18+,20-,21+,22+,23-,24-,25-,26-,27-,28-/m1/s1
InChIKey: HHPPCGSBRMCORM-QTSUHJLRSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C3CCC(CCC4CCCO4)C3CCC2C2CCCCC12

Scaffold Graph/Node level:
OC1CC2C3CCC(CCC4CCCO4)C3CCC2C2CCCCC12

Scaffold Graph level:
CC1CC2C3CCC(CCC4CCCC4)C3CCC2C2CCCCC12

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Bile acids, alcohols and derivatives

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Synonymous chemical names:
polyporoid b

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External chemical identifiers:
CID_44450001; NPATLAS_NPA019376; CHEMSPIDER_23316740; ZINC_ZINC000044157020

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Chemical structure download