(Q104667300)

English

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

group of stereoisomers with the chemical formula C₂₈H₄₆O₇

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instance of

group of stereoisomers

0 references

1 reference

494.3243538119999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₄₆O₇

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canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C(O)(C)C(O)CC(C)C(O)(C)C)C4(C)CC(O)C(O)CC14

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isomeric SMILES

CC(CC(O)C(C)(O)[C@H]1CCC2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)C(C)(C)O

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found in taxon

Diploclisia glaucescens

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stated in

Phytoecdysteroids of Diploclisia glaucescens Seed

Identifiers

InChI

InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15?,16?,18-,20+,21-,22-,23?,25+,26+,27?,28?/m0/s1

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InChIKey

IJRBORPEVKCEQD-JGAMMTJQSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

IJRBORPEVKCEQD-JGAMMTJQSA-N

1 reference

(Q104667300)

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

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Identifiers

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