(Q105222435)

English

[(2R,3E,5R,7S,8E,10S,11R,13S)-2,3-diacetyloxy-7,13-dihydroxy-10-[(1R)-1-hydroxyethoxy]-8-(hydroxymethyl)-4,14,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-1(14),3,8-trienyl] acetate

chemical compound

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type of chemical entity

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subclass of

[2,3-Diacetyloxy-7,13-dihydroxy-10-(1-hydroxyethoxy)-8-(hydroxymethyl)-4,14,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-1(14),3,8-trienyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

554.2727121639999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₄₂O₁₁

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canonical SMILES

O=C(OC1=C(C)C(OC(=O)C)CC(O)C(=CC(OC(O)C)C2CC(O)C(=C(C1OC(=O)C)C2(C)C)C)CO)C

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isomeric SMILES

CC(=O)O/C1=C(\C)[C@H](OC(C)=O)C[C@H](O)/C(CO)=C/[C@H](O[C@H](C)O)[C@@H]2C[C@H](O)C(C)=C([C@H]1OC(C)=O)C2(C)C

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Identifiers

InChI

InChI=1S/C28H42O11/c1-13-21(34)10-20-24(37-16(4)31)9-19(12-29)22(35)11-23(36-15(3)30)14(2)26(38-17(5)32)27(39-18(6)33)25(13)28(20,7)8/h9,16,20-24,27,29,31,34-35H,10-12H2,1-8H3/b19-9+,26-14+/t16-,20+,21+,22+,23-,24+,27-/m1/s1

0 references

InChIKey

QIVZYHARLWMPFQ-IUTBHLMNSA-N

0 references

PubChem CID

162922162

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QIVZYHARLWMPFQ-IUTBHLMNSA-N

(Q105222435)

[(2R,3E,5R,7S,8E,10S,11R,13S)-2,3-diacetyloxy-7,13-dihydroxy-10-[(1R)-1-hydroxyethoxy]-8-(hydroxymethyl)-4,14,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-1(14),3,8-trienyl] acetate

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