(Q105202413)

English

(8S,9S,10R,13R,14S,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-[(3E)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one

1 reference

1 reference

17-(5,6-Dimethylhept-3-en-2-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

396.339216028 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3aS,3bS,9aR,9bS,11aR)-1-[(2R,3E,5S)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one

1 reference

based on heuristic

inferred from InChI

Ergosta-4,22-dien-3-one

1 reference

based on heuristic

inferred from InChI

(8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₄O

0 references

canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C(CCC34)C(C=CC(C)C(C)C)C)C2(C)CC1

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isomeric SMILES

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

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found in taxon

Croton hieronymi

1 reference

stated in

A linear sesterterpene, two squalene derivatives and two peptide derivatives from Croton hieronymi

Identifiers

InChI

InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,17-20,23-26H,9-16H2,1-6H3/b8-7+/t19-,20-,23-,24+,25-,26-,27-,28+/m0/s1

0 references

InChIKey

OWYXOXZSAKVGHJ-WHKUKMBTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OWYXOXZSAKVGHJ-WHKUKMBTSA-N

(Q105202413)

(8S,9S,10R,13R,14S,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

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Identifiers

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