(Q82348589)

English

Stigmasta-3,5-dien-7-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

17-(5-Ethyl-6-methylheptan-2-yl)-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one

1 reference

based on heuristic

inferred from SMILES

mass

410.354866092 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(24S)-Stigmasta-3,5-dien-7-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₆O

0 references

canonical SMILES

O=C1C=C2C=CCCC2(C)C3CCC4(C)C(CCC4C13)C(C)CCC(CC)C(C)C

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isomeric SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CCC=C4)C)C)C(C)C

0 references

found in taxon

Harrisonia abyssinica

2 references

stated in

Steroids from Harrisonia abyssinica

stated in

Steroids from Harrisonia abyssinica

Populus tremuloides

1 reference

stated in

EXTRACTIVES FROM POPULUS TREMULOÏDES HEARTWOOD: THE STRUCTURE AND SYNTHESIS OF TREMULONE

Identifiers

InChI

InChI=1S/C29H46O/c1-7-21(19(2)3)12-11-20(4)23-13-14-24-27-25(15-17-29(23,24)6)28(5)16-9-8-10-22(28)18-26(27)30/h8,10,18-21,23-25,27H,7,9,11-17H2,1-6H3/t20-,21-,23-,24+,25+,27+,28+,29-/m1/s1

0 references

InChIKey

LCFUUGFUQQAYMY-CJAQKTMASA-N

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CAS Registry Number

2034-72-2

1 reference

InChIKey

LCFUUGFUQQAYMY-CJAQKTMASA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=2034-72-2

PubChem CID

12444466

1 reference

matched by identifier from

InChIKey

LCFUUGFUQQAYMY-CJAQKTMASA-N

SureChEMBL ID

SCHEMBL4321442

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

LCFUUGFUQQAYMY-CJAQKTMASA-N

1 reference

1 reference

matched by identifier from

InChIKey

LCFUUGFUQQAYMY-CJAQKTMASA-N

DSSTOX compound identifier

0 references

2 references

inferred from InChIKey

matched by identifier from

InChIKey

LCFUUGFUQQAYMY-CJAQKTMASA-N

(Q82348589)

Stigmasta-3,5-dien-7-one

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