Summary

Molecular formula: C29H48O3
SMILES: CO[C@H]1C[C@@]2(C)C(C[C@@H]1O)CC=C1[C@]2(O)CC[C@]2(C1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C
InChI: InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)22-12-13-23-24-11-10-21-16-25(30)26(32-7)17-28(21,6)29(24,31)15-14-27(22,23)5/h8-9,11,18-23,25-26,30-31H,10,12-17H2,1-7H3/b9-8+/t19-,20+,21?,22+,23?,25-,26-,27+,28-,29+/m0/s1
InChIKey: AQPFYTGLRKZIIW-DJNFYPBISA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C3CCCC3CCC2C2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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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:
2b-methoxyl-3 a ,9 a -dihydroxyergosta-7,22-diene, 2beta-methoxy-3a,9a-dihydroxyergosta-7,22

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External chemical identifiers:
CID_139588260; NPATLAS_NPA018549; CHEMSPIDER_78441946

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Chemical structure download