Summary

Molecular formula: C31H50O3
SMILES: C[C@H]1CC[C@](OC1=O)(C)[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C
InChI: InChI=1S/C31H50O3/c1-19-11-18-31(8,34-26(19)33)20(2)21-12-16-30(7)23-9-10-24-27(3,4)25(32)14-15-28(24,5)22(23)13-17-29(21,30)6/h19-21,24-25,32H,9-18H2,1-8H3/t19-,20-,21+,24-,25-,28+,29+,30-,31+/m0/s1
InChIKey: YSVFUMBQSKJOIN-VKPGBLCESA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC(CC2CCC3C4=C(CCC23)C2CCCCC2CC4)O1

Scaffold Graph/Node level:
OC1CCCC(CC2CCC3C2CCC2C4CCCCC4CCC23)O1

Scaffold Graph level:
CC1CCCC(CC2CCC3C2CCC2C4CCCCC4CCC23)C1

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Chemical classification

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

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Synonymous chemical names:
astrakurkurone

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External chemical identifiers:
CID_139587813; NPATLAS_NPA016950; CHEMSPIDER_78438299; ZINC_ZINC000255285165

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Chemical structure download