(Q27138656)

SCHEMBL17372672 (English)

7 October 2016

chemical formula

C₃₀H₄₄O₆

1 reference

SCHEMBL17372672 (English)

7 October 2016

canonical SMILES

CC1C(CCC2(C1CC(=O)C3=C2C(=O)C(C4(C3CCC4C(C)CCC(=C)C(C)C(=O)OC)C)O)C)O

1 reference

SCHEMBL17372672 (English)

7 October 2016

isomeric SMILES

C[C@@H]1[C@@H](CC[C@]2([C@H]1CC(=O)C3=C2C(=O)[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=C)C(C)C(=O)OC)C)O)C)O

1 reference

SCHEMBL17372672 (English)

InChI=1S/C30H44O6/c1-15(17(3)28(35)36-7)8-9-16(2)19-10-11-20-24-23(32)14-21-18(4)22(31)12-13-29(21,5)25(24)26(33)27(34)30(19,20)6/h16-22,27,31,34H,1,8-14H2,2-7H3/t16-,17?,18+,19-,20+,21+,22-,27+,29+,30-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

SCHEMBL17372672 (English)

ZWMDJBNGXKAIRO-PRBDMEKXSA-N

7 October 2016

InChIKey

2 references

SCHEMBL17372672 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Methyl (3alpha,4alpha,5alpha,12alpha)-3,12-dihydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oate (English)

7 October 2016

1 reference

SCHEMBL17372672 (English)

7 October 2016

ChEBI ID

70314

mapping relation type

1 reference