(Q105345666)

English

[(3S,8R,9R,10R,13R,14R,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Brassicasterol acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3S,8S,9R,10R,13S,14S,17S)-17-[(E,2S,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

Ergosta-5,22-dien-3-ol, acetate, (3beta,22E)-

1 reference

based on heuristic

inferred from InChI

[(3S,8S,9R,10R,13S,14S,17S)-17-[(2S,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₂

0 references

canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C=CC(C)C(C)C)C)C2(C)CC1)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]32)C1

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found in taxon

Lobaria pulmonaria

1 reference

stated in

Sterols of three lichen species: Lobaria pulmonaria, Lobaria Scrobiculata and Usnea Longissima

Sarcophyton glaucum

1 reference

stated in

Marine sterols. VIII. Isolation and structure of sarcosterol, a new sterol with a Δ17(20)-double bond from the soft coral Sarcophyton glaucum

Identifiers

InChI

InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-10,19-21,24-28H,11-18H2,1-7H3/b9-8+/t20-,21-,24-,25+,26+,27+,28+,29-,30+/m0/s1

0 references

InChIKey

YAXRKAKOIWXVHL-KGJRQOPQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YAXRKAKOIWXVHL-KGJRQOPQSA-N

(Q105345666)

[(3S,8R,9R,10R,13R,14R,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Statements

Identifiers

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