(Q104918026)

English

[(1S,2S,7S,8S,11S,13S,15S)-15-[(1S,4S,4aS,8aS)-4-acetyloxy-1-formyl-1-hydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-11-hydroxy-2,6,6-trimethyl-12,14,16-trioxatetracyclo[8.6.0.01,13.02,7]hexadec-9-en-8-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[15-(4-acetyloxy-1-formyl-1-hydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl)-11-hydroxy-2,6,6-trimethyl-12,14,16-trioxatetracyclo[8.6.0.01,13.02,7]hexadec-9-en-8-yl] acetate

1 reference

1 reference

616.324747736 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,7S,8R,11R,13S,15R)-15-[(1S,4R,4aS,8aS)-4-acetyloxy-1-formyl-1-hydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-11-hydroxy-2,6,6-trimethyl-12,14,16-trioxatetracyclo[8.6.0.01,13.02,7]hexadec-9-en-8-yl] acetate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₄H₄₈O₁₀

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canonical SMILES

O=CC1(O)C(=CC(OC(=O)C)C2C(C)(C)CCCC21C)C3OC4OC(O)C5=CC(OC(=O)C)C6C(C)(C)CCCC6(C)C54O3

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isomeric SMILES

CC(=O)O[C@H]1C=C([C@@H]2O[C@@H]3O[C@H](O)C4=C[C@H](OC(C)=O)[C@H]5C(C)(C)CCC[C@]5(C)[C@]43O2)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12

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found in taxon

Cinnamosma fragrans

1 reference

stated in

Cinnafragrins A-C, dimeric and trimeric drimane sesquiterpenoids from Cinnamosma fragrans, and structure revision of capsicodendrin

Identifiers

InChI

InChI=1S/C34H48O10/c1-18(36)40-22-15-20-26(38)42-28-34(20,32(8)14-10-12-30(5,6)25(22)32)44-27(43-28)21-16-23(41-19(2)37)24-29(3,4)11-9-13-31(24,7)33(21,39)17-35/h15-17,22-28,38-39H,9-14H2,1-8H3/t22-,23-,24-,25-,26-,27+,28-,31-,32-,33+,34-/m0/s1

0 references

InChIKey

ASRYDWWUAZEWIH-VQNZSJPESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104918026)

[(1S,2S,7S,8S,11S,13S,15S)-15-[(1S,4S,4aS,8aS)-4-acetyloxy-1-formyl-1-hydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-11-hydroxy-2,6,6-trimethyl-12,14,16-trioxatetracyclo[8.6.0.01,13.02,7]hexadec-9-en-8-yl] acetate

Statements

Identifiers

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