24-ethylcholesta-4,22-dien-3-one (Q27137249)

SCHEMBL3030699 (English)

7 October 2016

chemical formula

C₂₉H₄₆O

1 reference

SCHEMBL3030699 (English)

7 October 2016

canonical SMILES

CCC(C=CC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C

1 reference

SCHEMBL3030699 (English)

7 October 2016

isomeric SMILES

CCC(/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(C)C

1 reference

Cembranolides from the leaves of Croton gratissimus.

SCHEMBL3030699 (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21?,24+,25-,26+,27+,28+,29-/m1/s1

1 reference

SCHEMBL3030699 (English)

MKGZDUKUQPPHFM-KBEOWXOMSA-N

7 October 2016

InChIKey

2 references

SCHEMBL3030699 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

24-ethylcholesta-4,22-dien-3-one (English)

7 October 2016

1 reference

(22E,24xi)-Stigmasta-4,22-dien-3-one (English)

7 October 2016

2 references

SCHEMBL3030699 (English)

matched by identifier from

7 October 2016

InChIKey

MKGZDUKUQPPHFM-KBEOWXOMSA-N

Reaxys registry number

15766024

1 reference

24-ethylcholesta-4,22-dien-3-one (English)

7 October 2016

ChEBI ID

68895

mapping relation type

2 references

24-ethylcholesta-4,22-dien-3-one (English)