oleoyl neocryptotanshinone (Q27135453)

CHEMBL445779 (English)

7 October 2016

chemical formula

C₃₇H₅₄O₅

0 references

canonical SMILES

CCCCCCCCC(=C(CCCCCCCC(=O)OCC(C)C=1C(C=2C=CC3=C(CCCC3(C)C)C2C(C1O)=O)=O)[H])[H]

1 reference

oleoyl neocryptotanshinone (English)

7 October 2016

isomeric SMILES

CCCCCCCC\C(=C(/CCCCCCCC(=O)OCC(C)C=1C(C=2C=CC3=C(CCCC3(C)C)C2C(C1O)=O)=O)\[H])\[H]

1 reference

Two new fatty diterpenoids from Salvia miltiorrhiza

oleoyl neocryptotanshinone (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C37H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31(38)42-26-27(2)32-34(39)29-23-24-30-28(21-20-25-37(30,3)4)33(29)36(41)35(32)40/h12-13,23-24,27,40H,5-11,14-22,25-26H2,1-4H3/b13-12-

1 reference

oleoyl neocryptotanshinone (English)

ZDZOJQPZBICBMD-SEYXRHQNSA-N

7 October 2016

InChIKey

2 references

oleoyl neocryptotanshinone (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-(3-Hydroxy-8,8-dimethyl-1,4-dioxo-1,4,5,6,7,8-hexahydro-2-phenanthrenyl)propyl (9Z)-9-octadecenoate (English)

7 October 2016

Reaxys registry number

8887958

1 reference

oleoyl neocryptotanshinone (English)

7 October 2016

ChEBI ID

66820

mapping relation type

2 references

oleoyl neocryptotanshinone (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C37H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31(38)42-26-27(2)32-34(39)29-23-24-30-28(21-20-25-37(30,3)4)33(29)36(41)35(32)40/h12-13,23-24,27,40H,5-11,14-22,25-26H2,1-4H3/b13-12-

1 reference

CHEMBL445779 (English)