(Q105008887)

English

(3S,5S,9R,10R,13R,14S,17S)-3,14-dihydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-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

3a,7-dihydroxy-1-[5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-9a,11a-dimethyl-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one

1 reference

based on heuristic

inferred from SMILES

mass

504.345089256 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,5R,9R,10R,13R,14S,17S)-3,14-dihydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-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 InChI

chemical formula

C₃₀H₄₈O₆

0 references

canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C4(OC(OC4CCC(O)(C)C)(C)C)C)C5(C)CCC(O)CC15

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isomeric SMILES

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

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found in taxon

Silene brahuica

1 reference

stated in

Phytoecdysteroids of plants of the genus Silene. XVIII. 2-Deoxyecdysterone 20,22-monoacetonide from Silene brahuica

Silene viridiflora

1 reference

stated in

Ecdysteroids fromSilene viridiflora

Identifiers

InChI

InChI=1S/C30H48O6/c1-25(2,33)12-11-24-29(7,36-26(3,4)35-24)23-10-15-30(34)20-17-22(32)21-16-18(31)8-13-27(21,5)19(20)9-14-28(23,30)6/h17-19,21,23-24,31,33-34H,8-16H2,1-7H3/t18-,19-,21+,23-,24+,27+,28+,29+,30+/m0/s1

0 references

InChIKey

GIDOJSDRNURPMM-QGDYWCDTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GIDOJSDRNURPMM-QGDYWCDTSA-N

1 reference

(Q105008887)

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

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