(Q105155520)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

480.308703748 dalton

1 reference

1 reference

C₂₇H₄₄O₇

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canonical SMILES

O=C1C=C2C(C(O)CC3(C)C(CCC23O)C(O)(C)C(O)CCC(C)C)C4(C)CC(O)C(O)CC14

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isomeric SMILES

CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3[C@H](O)C[C@]12C

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found in taxon

Vitex strickeri

1 reference

stated in

Isolation of ecdysteroids fromVitex strickeri using RLCC and recycling HPLC

Identifiers

InChI

InChI=1S/C27H44O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h11,14-15,18-23,29-34H,6-10,12-13H2,1-5H3/t15-,18+,19-,20+,21-,22+,23-,24-,25+,26+,27+/m0/s1

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InChIKey

LQGNCUXDDPRDJH-SQZLKWIHSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105155520)

(2S,3R,5R,9S,10R,11R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,11,14-tetrahydroxy-10,13-dimethyl-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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