Summary

Molecular formula: C46H78O5
SMILES: CCCCCCCC/C=CCCCCCCCC(=O)O[C@@H]1C(=O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@]1(O)C[C@@H](O)CC2)C)[C@@H](/C=C/[C@@H](C(C)C)C)C
InChI: InChI=1S/C46H78O5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)51-43-42(49)41-38-27-26-37(35(5)25-24-34(4)33(2)3)44(38,6)30-29-39(41)45(7)31-28-36(47)32-46(43,45)50/h15-16,24-25,33-39,41,43,47,50H,8-14,17-23,26-32H2,1-7H3/b16-15-,25-24+/t34-,35+,36-,37+,38-,39-,41-,43+,44+,45+,46-/m0/s1
InChIKey: YEFGYSYQDJVEFQ-NFCNPGOKSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCCC2C2CCC3CCCC3C12

Scaffold Graph/Node level:
OC1CC2CCCCC2C2CCC3CCCC3C12

Scaffold Graph level:
CC1CC2CCCCC2C2CCC3CCCC3C12

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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:
3β,5α-dihydroxy-(22e,24r)-ergosta-22-en-7-one-6β-yl oleate

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External chemical identifiers:
CID_21580602; NPATLAS_NPA002647; ZINC_ZINC000255284058

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Chemical structure download