(Q104915978)

English

(5R,9R,10R,13S,14S,17S)-17-[(2R,3S)-5-(1,2-dihydroxy-2-methylpropyl)-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 C₃₀H₄₈O₅

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Statements

instance of

group of stereoisomers

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subclass of

lanostane triterpenoid

1 reference

inferred from

lanostane triterpenoid

mass

488.3501746359999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₈O₅

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canonical SMILES

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

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isomeric SMILES

CC(C)(O)C(O)C1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@H](O)O1

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Identifiers

InChI

InChI=1S/C30H48O5/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(35-25(17)33)24(32)27(3,4)34/h8,17-19,21-22,24-25,32-34H,9-16H2,1-7H3/t17-,18-,19-,21?,22-,24?,25+,28+,29-,30+/m0/s1

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InChIKey

AOVNJUKMQOLLCG-GRTZSQHXSA-N

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PubChem CID

163006707

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

AOVNJUKMQOLLCG-GRTZSQHXSA-N

(Q104915978)

(5R,9R,10R,13S,14S,17S)-17-[(2R,3S)-5-(1,2-dihydroxy-2-methylpropyl)-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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Identifiers

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