(Q104921406)

English

[(1S,2R,5S,7S,9R,11S,12S,15R,16S)-15-[(2S,3R,5R)-3-acetyloxy-6-hydroxy-5,6-dimethylheptan-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[15-(3-Acetyloxy-6-hydroxy-5,6-dimethylheptan-2-yl)-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

532.376389384 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₆

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canonical SMILES

O=C(OC1CCC2(C)C3CCC4(C)C(CCC4C3CC5OC52C1)C(C)C(OC(=O)C)CC(C)C(O)(C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)[C@@H](C[C@@H](C)C(C)(C)O)OC(C)=O)[C@@H]3C[C@H]3O[C@]32C1

0 references

1 reference

Identifiers

InChI

InChI=1S/C32H52O6/c1-18(29(5,6)35)15-27(37-21(4)34)19(2)24-9-10-25-23-16-28-32(38-28)17-22(36-20(3)33)11-14-31(32,8)26(23)12-13-30(24,25)7/h18-19,22-28,35H,9-17H2,1-8H3/t18-,19+,22+,23+,24-,25+,26+,27-,28-,30-,31-,32-/m1/s1

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InChIKey

AYVRWZDFDLTZNV-YVBFSCSXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AYVRWZDFDLTZNV-YVBFSCSXSA-N

(Q104921406)

[(1S,2R,5S,7S,9R,11S,12S,15R,16S)-15-[(2S,3R,5R)-3-acetyloxy-6-hydroxy-5,6-dimethylheptan-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate

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