(Q105145663)

English

(2R,3Z,5S,7S,8E,10S,11R,13S)-2,3,10-tris(acetyloxy)-7,13-dihydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),3,8-trien-5-yl acetate

chemical compound

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type of chemical entity

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subclass of

[2,3,10-Triacetyloxy-7,13-dihydroxy-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

552.2570620999999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₄₀O₁₁

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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](OC(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/C28H40O11/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/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9+,26-14-/t20-,21-,22-,23-,24-,27+/m0/s1

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InChIKey

KSZOOYZKDSXGIR-CCFPQACYSA-N

0 references

PubChem CID

6325022

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KSZOOYZKDSXGIR-CCFPQACYSA-N

ChEBI ID

228947

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C28H40O11/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/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9+,26-14-/t20-,21-,22-,23-,24-,27+/m0/s1

(Q105145663)

(2R,3Z,5S,7S,8E,10S,11R,13S)-2,3,10-tris(acetyloxy)-7,13-dihydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),3,8-trien-5-yl acetate

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