effusanin D (Q27138713)

(1alpha,5beta,6beta,7alpha,8alpha,9beta,10alpha)-6,7-Dihydroxy-15-oxo-7,20-epoxykaur-16-ene-1,18-diyl diacetate (English)

7 October 2016

chemical formula

C₂₄H₃₂O₈

0 references

canonical SMILES

C=C1C2(CCC3(C45COC(C(C5(C(C)(CCC4(OC(C)=O)[H])COC(C)=O)[H])(O)[H])(C3(C2)C1=O)O)[H])[H]

1 reference

effusanin D (English)

7 October 2016

isomeric SMILES

C=C1C2(CC[C@]3([C@]45CO[C@@]([C@]([C@@]5([C@@](C)(CC[C@@]4(OC(C)=O)[H])COC(C)=O)[H])(O)[H])([C@]3(C2)C1=O)O)[H])[H]

1 reference

Bioactive ent-kaurane diterpenoids from Isodon rubescens.

effusanin D (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C24H32O8/c1-12-15-5-6-16-22-11-31-24(29,23(16,9-15)19(12)27)20(28)18(22)21(4,10-30-13(2)25)8-7-17(22)32-14(3)26/h15-18,20,28-29H,1,5-11H2,2-4H3/t15?,16-,17-,18+,20-,21-,22+,23-,24-/m0/s1

1 reference

effusanin D (English)

IYWHJYKWKCMAGI-VLZCAWOASA-N

7 October 2016

InChIKey

2 references

effusanin D (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

matched by identifier from

(1alpha,5beta,6beta,7alpha,8alpha,9beta,10alpha)-6,7-Dihydroxy-15-oxo-7,20-epoxykaur-16-ene-1,18-diyl diacetate (English)

7 October 2016

2 references

26 December 2021

InChIKey

IYWHJYKWKCMAGI-VLZCAWOASA-N

ChEBI ID

70373

mapping relation type

2 references

effusanin D (English)