(Q105385297)

English

(10R,13S,14S,17S)-17-[(3S)-5-(3,3-dimethyloxiran-2-yl)-2-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

group of stereoisomers with the chemical formula C₃₀H₄₆O₄

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instance of

group of stereoisomers

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subclass of

lanostane triterpenoid

1 reference

inferred from

lanostane triterpenoid

mass

470.33960995199993 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₆O₄

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canonical SMILES

O=C1CCC2(C)C3C(=CCC2C1(C)C)C4(C)CCC(C5CC(OC5O)C6OC6(C)C)C4(C)CC3

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isomeric SMILES

CC1(C)OC1C1C[C@@H]([C@@H]2CC[C@]3(C)C4=CCC5C(C)(C)C(=O)CC[C@]5(C)C4CC[C@@]23C)C(O)O1

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Identifiers

InChI

InChI=1S/C30H46O4/c1-26(2)22-9-8-20-19(28(22,5)13-12-23(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-21(33-25(17)32)24-27(3,4)34-24/h8,17-19,21-22,24-25,32H,9-16H2,1-7H3/t17-,18-,19?,21?,22?,24?,25?,28+,29-,30+/m0/s1

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InChIKey

ZWXPNDUTGNVQEU-GNDPEOOZSA-N

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PubChem CID

162977386

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZWXPNDUTGNVQEU-GNDPEOOZSA-N

(Q105385297)

(10R,13S,14S,17S)-17-[(3S)-5-(3,3-dimethyloxiran-2-yl)-2-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

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