(Q105370611)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

448.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₄O₅

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canonical SMILES

O=C1CC2=C(CCC3(C)C(CCC23O)C(C)C(O)CCC(O)(C)C)C4(C)CCC(O)CC14

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isomeric SMILES

C[C@H]([C@@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@H]1C(=O)C3

0 references

found in taxon

Silene praemixta

1 reference

stated in

Phytoecdysones ofSilene praemixta. I. Silenosterone

Identifiers

InChI

InChI=1S/C27H44O5/c1-16(22(29)9-10-24(2,3)31)18-8-13-27(32)20-15-23(30)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h16-18,21-22,28-29,31-32H,6-15H2,1-5H3/t16-,17-,18+,21-,22-,25+,26+,27+/m0/s1

0 references

InChIKey

ZBHXMNUVFBOPTI-MJNVIGLJSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105370611)

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

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Identifiers

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