(Q105233056)

English

(10R,13R)-17-[(2R)-5-hydroperoxy-5-propan-2-ylhept-6-en-2-yl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

group of stereoisomers with the chemical formula C₂₉H₄₆O₄

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Statements

instance of

group of stereoisomers

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subclass of

stigmastan-type steroid

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inferred from

stigmastan-type steroid

mass

458.33960995199993 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₄₆O₄

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canonical SMILES

O=C1C=C2C(O)CC3C(CCC4(C)C(CCC34)C(C)CCC(OO)(C=C)C(C)C)C2(C)CC1

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isomeric SMILES

C=CC(CC[C@@H](C)C1CCC2C3CC(O)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C)(OO)C(C)C

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Identifiers

InChI

InChI=1S/C29H46O4/c1-7-29(33-32,18(2)3)15-10-19(4)22-8-9-23-21-17-26(31)25-16-20(30)11-13-28(25,6)24(21)12-14-27(22,23)5/h7,16,18-19,21-24,26,31-32H,1,8-15,17H2,2-6H3/t19-,21?,22?,23?,24?,26?,27-,28-,29?/m1/s1

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InChIKey

RBCZOQQEGCYPRX-IJLIUZLBSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

RBCZOQQEGCYPRX-IJLIUZLBSA-N

1 reference

(Q105233056)

(10R,13R)-17-[(2R)-5-hydroperoxy-5-propan-2-ylhept-6-en-2-yl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

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