(Q104981710)

English

(5R,9R,10R,13S,14S,17S)-17-[(3S,5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-4,4,10,13-tetramethyl-2,5,6,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

17-(5,6-dihydroxy-7,7-dimethyloxepan-3-yl)-4,4,10,13-tetramethyl-2,5,6,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

458.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O₄

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canonical SMILES

O=C1CCC2(C)C3C(=CCC2C1(C)C)C4CCC(C5COC(C)(C)C(O)C(O)C5)C4(C)CC3

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isomeric SMILES

CC1(C)OC[C@H]([C@@H]2CC[C@@H]3C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@]32C)C[C@@H](O)[C@@H]1O

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found in taxon

Turraea pubescens

1 reference

stated in

Cytotoxic Terpenoids fromTurraea pubescens

Identifiers

InChI

InChI=1S/C29H46O4/c1-26(2)23-10-7-18-20-9-8-19(17-15-22(30)25(32)27(3,4)33-16-17)28(20,5)13-11-21(18)29(23,6)14-12-24(26)31/h7,17,19-23,25,30,32H,8-16H2,1-6H3/t17-,19+,20-,21+,22-,23+,25+,28+,29-/m1/s1

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InChIKey

DIWBDVYNFMQRNC-CENHRWLLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DIWBDVYNFMQRNC-CENHRWLLSA-N

(Q104981710)

(5R,9R,10R,13S,14S,17S)-17-[(3S,5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-4,4,10,13-tetramethyl-2,5,6,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

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