(Q104937738)

English

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E)-5-[(1R,3R,7S,8S,9R)-7-acetyloxy-3-hydroxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-4-en-9-yl]-2-methylpenta-2,4-dienoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

sphenolobane diterpenoid

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mass

566.236326656 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₈O₁₂

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C(=CC=CC2(OC(=O)C34CCC2C4(OC(=O)C)CC=C(C)C(O)C3)C)C

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isomeric SMILES

CC(=O)O[C@]12CC=C(C)[C@H](O)C[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC3=O

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found in taxon

Larix kaempferi

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stated in

Cytotoxic diterpenoids from the bark of Pseudolarix kaempferi and their structure-activity relationships.

Pseudolarix amabilis

1 reference

stated in

Cytotoxic diterpenoids from the bark of Pseudolarix kaempferi and their structure-activity relationships.

Identifiers

InChI

InChI=1S/C28H38O12/c1-14-7-11-28(39-16(3)30)19-8-10-27(28,12-17(14)31)25(36)40-26(19,4)9-5-6-15(2)23(35)38-24-22(34)21(33)20(32)18(13-29)37-24/h5-7,9,17-22,24,29,31-34H,8,10-13H2,1-4H3/b9-5+,15-6+/t17-,18-,19+,20-,21+,22-,24+,26-,27+,28+/m1/s1

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InChIKey

BKRBXZYJRMXVNW-PZUIDARMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BKRBXZYJRMXVNW-PZUIDARMSA-N

1 reference

(Q104937738)

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E)-5-[(1R,3R,7S,8S,9R)-7-acetyloxy-3-hydroxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-4-en-9-yl]-2-methylpenta-2,4-dienoate

Statements

Identifiers

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