(Q27136156)

CHEBI:67683 (English)

(1R,2S,3S,5S,8R,9R,10S,11R,16S,18R)-3,9,10,18-tetrahydroxy-16-methoxy-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

(1R,2S,3S,5S,8R,9S,10S,11R,16S,18R)-3,9,10,18-tetrahydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₀O₇

1 reference

CHEBI:67683 (English)

7 October 2016

canonical SMILES

CC1(CCCC23C1C(C(C45C2C(CC(C4O)C(=C)C5=O)O)(OC3OC)O)O)C

1 reference

CHEBI:67683 (English)

7 October 2016

isomeric SMILES

CC1(CCC[C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2[C@H](C[C@@H]([C@H]4O)C(=C)C5=O)O)(O[C@@H]3OC)O)O)C

1 reference

CHEBI:67683 (English)

InChI=1S/C21H30O7/c1-9-10-8-11(22)12-19-7-5-6-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(12,14(9)23)15(10)24/h10-13,15-17,22,24-26H,1,5-8H2,2-4H3/t10-,11+,12+,13-,15-,16+,17+,19-,20+,21-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:67683 (English)

XHYABSFBWXRDOI-KVTWQIASSA-N

7 October 2016

InChIKey

2 references

CHEBI:67683 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5beta,6beta,7alpha,8alpha,9beta,10alpha,11beta,14R,20S)-6,7,11,14-Tetrahydroxy-20-methoxy-7,20-epoxykaur-16-en-15-one (English)

7 October 2016

2 references

CHEBI:67683 (English)

matched by identifier from

7 October 2016

InChIKey

XHYABSFBWXRDOI-KVTWQIASSA-N

ChEBI ID

67683

mapping relation type

2 references

Xerophilusin XII (English)