(Q105237888)

English

(3R,10S,11R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(3beta,22E)-Ergosta-5,8,22-triene-3,11-diol

1 reference

based on heuristic

inferred from SMILES

mass

412.334130648 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₄O₂

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canonical SMILES

OC1C2=C(CC=C3CC(O)CCC32C)C4CCC(C(C=CC(C)C(C)C)C)C4(C)C1

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isomeric SMILES

CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C([C@H](O)C[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1=CC3

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found in taxon

Phomopsis velata

1 reference

stated in

Elm bark beetle boring and feeding deterrents from Phomopsis oblonga

Identifiers

InChI

InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)23-11-12-24-22-10-9-20-15-21(29)13-14-27(20,5)26(22)25(30)16-28(23,24)6/h7-9,17-19,21,23-25,29-30H,10-16H2,1-6H3/b8-7+/t18-,19+,21+,23+,24-,25+,27-,28+/m0/s1

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InChIKey

RJWIGXOAUROSSK-NIOUUYSFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105237888)

(3R,10S,11R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol

Statements

Identifiers

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