(Q105027725)

English

(3S,5R,6R,9R,10R,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

chemical compound

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subclass of

17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

1 reference

based on heuristic

inferred from SMILES

mass

414.349780712 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5alpha,9alpha,22E)-Ergosta-7,22-diene-3beta,6beta-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,5R,6R,9R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₆O₂

0 references

canonical SMILES

OC1C=C2C3CCC(C(C=CC(C)C(C)C)C)C3(C)CCC2C4(C)CCC(O)CC14

0 references

isomeric SMILES

CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

0 references

found in taxon

Penicillium chrysogenum

1 reference

stated in

Penicisteroids A and B, antifungal and cytotoxic polyoxygenated steroids from the marine alga-derived endophytic fungus Penicillium chrysogenum QEN-24S.

Identifiers

InChI

InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,16-20,22-26,29-30H,9-15H2,1-6H3/t18-,19+,20-,22+,23-,24-,25-,26+,27+,28+/m0/s1

0 references

InChIKey

HGGDUZQCHPXQPL-DICCTZAXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HGGDUZQCHPXQPL-DICCTZAXSA-N

(Q105027725)

(3S,5R,6R,9R,10R,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

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