(Q105279258)

English

methyl (1R,7S,8S,9R)-7-acetyloxy-9-methyl-9-[(1E,3E)-4-methyl-5-oxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypenta-1,3-dienyl]-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 7-acetyloxy-9-methyl-9-[4-methyl-5-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypenta-1,3-dienyl]-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

594.231241276 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Pseudolaric acid B-O-beta-D-glucopyranoside

1 reference

based on heuristic

inferred from InChI

Pseudolaric acid B beta-D-glucoside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₈O₁₃

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C(=CC=CC2(OC(=O)C34CC=C(C(=O)OC)CCC4(OC(=O)C)C2CC3)C)C

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isomeric SMILES

COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[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

1 reference

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/C29H38O13/c1-15(23(35)40-25-22(34)21(33)20(32)18(14-30)39-25)6-5-10-27(3)19-9-12-28(26(37)42-27)11-7-17(24(36)38-4)8-13-29(19,28)41-16(2)31/h5-7,10,18-22,25,30,32-34H,8-9,11-14H2,1-4H3/b10-5+,15-6+/t18-,19+,20+,21+,22-,25+,27-,28-,29+/m1/s1

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InChIKey

UUDZDKPKXAEKLA-MGCZPWRESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UUDZDKPKXAEKLA-MGCZPWRESA-N

(Q105279258)

methyl (1R,7S,8S,9R)-7-acetyloxy-9-methyl-9-[(1E,3E)-4-methyl-5-oxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypenta-1,3-dienyl]-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylate

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Identifiers

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