Summary

Molecular formula: C28H44O5
SMILES: OC[C@H](C(O)(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C2=CC(=O)[C@@H]2[C@]1(C)CC[C@@H](C2)O)O)C
InChI: InChI=1S/C28H44O5/c1-17(6-7-18(16-29)25(2,3)32)20-8-9-21-22-15-24(31)23-14-19(30)10-11-27(23,5)28(22,33)13-12-26(20,21)4/h6-7,15,17-21,23,29-30,32-33H,8-14,16H2,1-5H3/b7-6+/t17-,18-,19+,20-,21+,23-,26-,27+,28-/m1/s1
InChIKey: MATNISOMNFTJPH-KWFWYRGISA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C3CCCC3CCC2C2CCCCC12

Scaffold Graph/Node level:
OC1CC2C3CCCC3CCC2C2CCCCC12

Scaffold Graph level:
CC1CC2C3CCCC3CCC2C2CCCCC12

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Chemical classification

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

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Synonymous chemical names:
3,9,25-trihydroxy-24-hydroxymethylergosta-7,22-dien-6-one

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External chemical identifiers:
CID_139591389; NPATLAS_NPA024231; CHEMSPIDER_78439456

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Chemical structure download