(Q105107135)

English

[(1R,2S,3R,5S,7R,8S,9S,10S,11R,15S)-7,9,10,15-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(7,9,10,15-Tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-3-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

408.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,3R,5S,7R,8S,9S,10S,11R,15R)-7,9,10,15-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-3-yl] acetate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₂H₃₂O₇

0 references

canonical SMILES

O=C(OC1CC2C(=C)C(O)C3(C2)C1C45COC3(O)C(O)C5C(C)(C)CCC4O)C

0 references

isomeric SMILES

C=C1[C@@H]2C[C@@H](OC(C)=O)[C@@H]3[C@@](C2)([C@@H]1O)[C@]1(O)OC[C@]32[C@@H](O)CCC(C)(C)[C@H]2[C@@H]1O

0 references

found in taxon

Isodon japonicus

1 reference

stated in

ent-Kaurene diterpenoids from Isodon oresbius.

Identifiers

InChI

InChI=1S/C22H32O7/c1-10-12-7-13(29-11(2)23)15-20-9-28-22(27,21(15,8-12)17(10)25)18(26)16(20)19(3,4)6-5-14(20)24/h12-18,24-27H,1,5-9H2,2-4H3/t12-,13-,14+,15+,16-,17-,18+,20+,21+,22-/m1/s1

0 references

InChIKey

GPEGTSAHBPPFTF-IGZXGOSHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GPEGTSAHBPPFTF-IGZXGOSHSA-N

(Q105107135)

[(1R,2S,3R,5S,7R,8S,9S,10S,11R,15S)-7,9,10,15-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-3-yl] acetate

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Identifiers

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