(Q105179352)

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

chemical compound

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instance of

type of chemical entity

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subclass of

9,10,15-Trihydroxy-6-(methoxymethyl)-12,12-dimethyl-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

1 reference

based on heuristic

inferred from SMILES

mass

380.219888744 dalton

1 reference

1 reference

C₂₁H₃₂O₆

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canonical SMILES

O=C1C(COC)C2CCC3C1(C2)C4(O)OCC53C(O)CCC(C)(C)C5C4O

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isomeric SMILES

COC[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O

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found in taxon

Isodon adenolomus

1 reference

stated in

Structure and cytotoxicity of diterpenoids from Isodon adenolomus

Isodon nervosus

1 reference

stated in

Nervosanin a and b and ent-kauranoids from Isodon nervosus

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-/m1/s1

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InChIKey

NHFCLVQJGBUOLF-IDXPHPLOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NHFCLVQJGBUOLF-IDXPHPLOSA-N

1 reference

(Q105179352)

(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

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Identifiers

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