Longikaurin A (Q27136149)

CHEBI:67677 (English)

(1R,2S,5S,8R,9S,10S,11R,18R)-9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₅

1 reference

CHEBI:67677 (English)

7 October 2016

canonical SMILES

CC1(CCCC23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)C

1 reference

CHEBI:67677 (English)

7 October 2016

isomeric SMILES

CC1(CCC[C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@@H]([C@H]4O)C(=C)C5=O)(OC3)O)O)C

1 reference

An investigation of diterpenes from the leaves of Rabdosia trichocarpa and their antibacterial activity against oral microorganisms

CHEBI:67677 (English)

7 October 2016

1 reference

Isodon longitubus

1 reference

stated in

Structure elucidation of longikaurin A and longikaurin B, new biologically active diterpenoids from Rabdosia longituba and chemical conversion of oridonin into dihydrolongikaurin A

Identifiers

InChI

InChI=1S/C20H28O5/c1-10-11-5-6-12-18-8-4-7-17(2,3)13(18)16(23)20(24,25-9-18)19(12,14(10)21)15(11)22/h11-13,15-16,22-24H,1,4-9H2,2-3H3/t11-,12+,13-,15-,16+,18-,19+,20-/m1/s1

1 reference

CHEBI:67677 (English)

PSVHVXLCVSKJGM-NIPWPZGFSA-N

7 October 2016

InChIKey

2 references

CHEBI:67677 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Longikaurin A (English)

7 October 2016

1 reference

(5beta,6beta,7alpha,8alpha,9beta,10alpha,14R)-6,7,14-Trihydroxy-7,20-epoxykaur-16-en-15-one (English)

7 October 2016

1 reference

CHEBI:67677 (English)

7 October 2016

ChEBI ID

67677

mapping relation type

2 references

Longikaurin A (English)