(Q105228630)

English

(5R,9R,10R,13S,14S,17S)-17-[(1R)-1-[(3R,4S)-3,4-dihydroxy-5,5-dimethyloxolan-2-yl]ethyl]-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 C₃₀H₄₈O₄

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Statements

instance of

group of stereoisomers

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subclass of

lanostane triterpenoid

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inferred from

lanostane triterpenoid

mass

472.35526001599993 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₈O₄

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canonical SMILES

O=C1CCC2(C)C3C(=CCC2C1(C)C)C4(C)CCC(C(C)C5OC(C)(C)C(O)C5O)C4(C)CC3

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isomeric SMILES

C[C@@H](C1OC(C)(C)[C@@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C

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Identifiers

InChI

InChI=1S/C30H48O4/c1-17(24-23(32)25(33)27(4,5)34-24)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21,23-25,32-33H,10-16H2,1-8H3/t17-,18+,19+,21+,23+,24?,25+,28-,29+,30-/m1/s1

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InChIKey

QVEUBDDZMCFHNJ-UTEGIPINSA-N

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PubChem CID

162888037

1 reference

based on heuristic

inferred from InChIKey

(Q105228630)

(5R,9R,10R,13S,14S,17S)-17-[(1R)-1-[(3R,4S)-3,4-dihydroxy-5,5-dimethyloxolan-2-yl]ethyl]-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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