(Q104987689)

English

(3S,8S,9R,10R,13S,14S,17S)-17-[(1S)-1-hydroxy-2-methoxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,14,17-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-(1-hydroxy-2-methoxyethyl)-9a,11a-dimethyl-2H,3H,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthrene-1,3a,7-triol

1 reference

based on heuristic

inferred from SMILES

mass

380.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,8R,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxy-2-methoxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,14,17-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₆O₅

0 references

canonical SMILES

OC1CC2=CCC3C(CCC4(C)C(O)(CCC34O)C(O)COC)C2(C)CC1

0 references

isomeric SMILES

COC[C@H](O)[C@]1(O)CC[C@]2(O)[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C

0 references

found in taxon

Periploca sepium

1 reference

stated in

Pregnanes and cardenolides from Periploca sepium

Identifiers

InChI

InChI=1S/C22H36O5/c1-19-8-6-15(23)12-14(19)4-5-17-16(19)7-9-20(2)21(17,25)10-11-22(20,26)18(24)13-27-3/h4,15-18,23-26H,5-13H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-,22+/m0/s1

0 references

InChIKey

DRWYRTBGYGOFNY-RGLWXPGGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DRWYRTBGYGOFNY-RGLWXPGGSA-N

(Q104987689)

(3S,8S,9R,10R,13S,14S,17S)-17-[(1S)-1-hydroxy-2-methoxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,14,17-triol

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