Nervosanin A (Q27136153)

CHEBI:67681 (English)

(1S,2S,5R,6S,8S,9S,10S,11R,15S)-9,10,15-trihydroxy-6-(methoxymethyl)-12,12-dimethyl-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

7 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₆

1 reference

CHEBI:67681 (English)

7 October 2016

canonical SMILES

CC1(CCC(C23C1C(C(C45C2CCC(C4)C(C5=O)COC)(OC3)O)O)O)C

1 reference

CHEBI:67681 (English)

7 October 2016

isomeric SMILES

CC1(CC[C@@H]([C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@@H](C4)[C@H](C5=O)COC)(OC3)O)O)O)C

1 reference

Nervosanin a and b and ent-kauranoids from Isodon nervosus

CHEBI:67681 (English)

7 October 2016

1 reference

Isodon adenolomus

1 reference

stated in

Structure and cytotoxicity of diterpenoids from Isodon adenolomus

Identifiers

InChI

InChI=1S/C21H32O6/c1-18(2)7-6-14(22)19-10-27-21(25,17(24)15(18)19)20-8-11(4-5-13(19)20)12(9-26-3)16(20)23/h11-15,17,22,24-25H,4-10H2,1-3H3/t11-,12+,13-,14-,15+,17-,19+,20-,21+/m0/s1

1 reference

CHEBI:67681 (English)

NHFCLVQJGBUOLF-SSTJTVCQSA-N

7 October 2016

InChIKey

2 references

CHEBI:67681 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1alpha,5beta,6beta,7alpha,8alpha,9beta,10alpha,16beta)-1,6,7-Trihydroxy-17-methoxy-7,20-epoxykauran-15-one (English)

7 October 2016

2 references

CHEBI:67681 (English)

matched by identifier from

7 October 2016

InChIKey

NHFCLVQJGBUOLF-SSTJTVCQSA-N

ChEBI ID

67681

mapping relation type

2 references

Nervosanin A (English)