(Q104996664)

English

(1R,2S,3R,5S,8S,10S,11R,15S)-15-(acetyloxy)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-3-yl acetate

group of stereoisomers with the chemical formula C₂₄H₃₂O₈

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instance of

group of stereoisomers

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subclass of

(1R,2S,3R,10S,11R,15S)-15-(acetyloxy)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-3-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

448.20971798399995 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₄H₃₂O₈

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canonical SMILES

O=C(OC1CC2C(=C)C(=O)C3(C2)C1C45COC3(O)C(O)C5C(C)(C)CCC4OC(=O)C)C

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isomeric SMILES

C=C1C(=O)[C@]23C[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@@]12COC3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O

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Identifiers

InChI

InChI=1S/C24H32O8/c1-11-14-8-15(31-12(2)25)17-22-10-30-24(29,23(17,9-14)19(11)27)20(28)18(22)21(4,5)7-6-16(22)32-13(3)26/h14-18,20,28-29H,1,6-10H2,2-5H3/t14-,15-,16+,17+,18-,20+,22+,23+,24?/m1/s1

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InChIKey

FKKSXNLVJJDMAR-DHYBCMJCSA-N

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PubChem CID

102004753

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FKKSXNLVJJDMAR-DHYBCMJCSA-N

1 reference

(Q104996664)

(1R,2S,3R,5S,8S,10S,11R,15S)-15-(acetyloxy)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-3-yl acetate

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