(Q105314910)

English

[(8S,9S,10R,11R,13R,14S,15S,17R)-11-acetyloxy-17-ethenyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-15-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(11-Acetyloxy-17-ethenyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-15-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

414.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄O₅

0 references

canonical SMILES

O=C(OC1CC(C=C)C2(C)CC(OC(=O)C)C3C(CCC4=CC(=O)CCC43C)C12)C

0 references

isomeric SMILES

C=C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](OC(C)=O)C[C@@]21C

0 references

found in taxon

Annella mollis

1 reference

stated in

Pregnane-Based Steroids from a Formosan GorgonianSubergorgia Mollis

Identifiers

InChI

InChI=1S/C25H34O5/c1-6-16-12-20(29-14(2)26)22-19-8-7-17-11-18(28)9-10-24(17,4)23(19)21(30-15(3)27)13-25(16,22)5/h6,11,16,19-23H,1,7-10,12-13H2,2-5H3/t16-,19-,20-,21+,22+,23+,24-,25+/m0/s1

0 references

InChIKey

WXTHAAVSUMEJKC-OFOLPJLVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WXTHAAVSUMEJKC-OFOLPJLVSA-N

(Q105314910)

[(8S,9S,10R,11R,13R,14S,15S,17R)-11-acetyloxy-17-ethenyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-15-yl] acetate

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Identifiers

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