entkaurane-3beta,16beta-diol (Q27138720)

(3beta,5beta,8alpha,9beta,10alpha,16beta)-Kaurane-3,16-diol (English)

7 October 2016

chemical formula

C₂₀H₃₄O₂

0 references

canonical SMILES

CC1(C)C2(CCC34CC(CCC3(C2(C)CCC1(O)[H])[H])(C(C)(C4)O)[H])[H]

1 reference

entkaurane-3beta,16beta-diol (English)

7 October 2016

isomeric SMILES

CC1(C)[C@]2(CC[C@@]34CC(CC[C@]3([C@]2(C)CC[C@@]1(O)[H])[H])([C@@](C)(C4)O)[H])[H]

1 reference

entkaurane-3beta,16beta-diol (English)

InChI=1S/C20H34O2/c1-17(2)14-7-10-20-11-13(19(4,22)12-20)5-6-15(20)18(14,3)9-8-16(17)21/h13-16,21-22H,5-12H2,1-4H3/t13?,14-,15+,16+,18-,19-,20+/m1/s1

7 October 2016

Identifiers

InChI

1 reference

entkaurane-3beta,16beta-diol (English)

VUJZEWLGPXJQEB-KTZJQMJJSA-N

7 October 2016

InChIKey

2 references

entkaurane-3beta,16beta-diol (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

matched by identifier from

(3beta,5beta,8alpha,9beta,10alpha,16beta)-Kaurane-3,16-diol (English)

7 October 2016

2 references

26 December 2021

InChIKey

VUJZEWLGPXJQEB-KTZJQMJJSA-N

ChEBI ID

70381

mapping relation type

2 references

entkaurane-3beta,16beta-diol (English)