(Q105361902)

English

[(1S,4S,4aS,8aS)-3-[(1S,2S,7S,8S,11S,13S,15S)-8-acetyloxy-11-methoxy-2,6,6-trimethyl-12,14,16-trioxatetracyclo[8.6.0.01,13.02,7]hexadec-9-en-15-yl]-4-formyl-4-hydroxy-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

drimane sesquiterpenoid

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mass

630.3403978 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₀O₁₀

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canonical SMILES

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

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isomeric SMILES

CO[C@H]1O[C@H]2O[C@@H](C3=C[C@H](OC(C)=O)[C@H]4C(C)(C)CCC[C@]4(C)[C@@]3(O)C=O)O[C@@]23C1=C[C@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@@]13C

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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/C35H50O10/c1-19(37)41-23-16-21(34(39,18-36)32(7)14-10-12-30(3,4)25(23)32)28-44-29-35(45-28)22(27(40-9)43-29)17-24(42-20(2)38)26-31(5,6)13-11-15-33(26,35)8/h16-18,23-29,39H,10-15H2,1-9H3/t23-,24-,25-,26-,27-,28+,29-,32-,33-,34+,35-/m0/s1

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InChIKey

YTRTYDPOBBBIPO-DYBYEIBHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YTRTYDPOBBBIPO-DYBYEIBHSA-N

(Q105361902)

[(1S,4S,4aS,8aS)-3-[(1S,2S,7S,8S,11S,13S,15S)-8-acetyloxy-11-methoxy-2,6,6-trimethyl-12,14,16-trioxatetracyclo[8.6.0.01,13.02,7]hexadec-9-en-15-yl]-4-formyl-4-hydroxy-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] acetate

Statements

Identifiers

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