(Q104996910)

English

[(1S)-2,7,9,10,13-pentaacetyloxy-4-(acetyloxymethyl)-8,12,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] 3-phenylprop-2-enoate

group of stereoisomers with the chemical formula C₄₁H₅₀O₁₄

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Statements

instance of

group of stereoisomers

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subclass of

verticillane diterpenoid

1 reference

inferred from

verticillane diterpenoid

mass

766.32005628 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₁H₅₀O₁₄

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canonical SMILES

O=C(OC1C(=CC(OC(=O)C)C2CC(OC(=O)C)C(=C(C(OC(=O)C)C(OC(=O)C)=C(C)C(OC(=O)C)C1)C2(C)C)C)COC(=O)C)C=CC=3C=CC=CC3

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isomeric SMILES

CC(=O)OCC1=CC(OC(C)=O)[C@H]2CC(OC(C)=O)C(C)=C(C(OC(C)=O)C(OC(C)=O)=C(C)C(OC(C)=O)CC1OC(=O)C=Cc1ccccc1)C2(C)C

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Identifiers

InChI

InChI=1S/C41H50O14/c1-22-33(50-25(4)43)19-32-36(52-27(6)45)18-31(21-49-24(3)42)35(55-37(48)17-16-30-14-12-11-13-15-30)20-34(51-26(5)44)23(2)39(53-28(7)46)40(54-29(8)47)38(22)41(32,9)10/h11-18,32-36,40H,19-21H2,1-10H3/t32-,33?,34?,35?,36?,40?/m1/s1

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InChIKey

FLBNRACKRBUYNP-GNILXSHISA-N

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PubChem CID

138113984

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FLBNRACKRBUYNP-GNILXSHISA-N

(Q104996910)

[(1S)-2,7,9,10,13-pentaacetyloxy-4-(acetyloxymethyl)-8,12,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] 3-phenylprop-2-enoate

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