(Q105138501)

English

(1S,2S,10S,11R,13S,14R,15R)-13-(acetyloxy)-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl 2-(methylamino)benzoate

group of stereoisomers with the chemical formula C₃₀H₃₇NO₇

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instance of

group of stereoisomers

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523.2570025239999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₃₇NO₇

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canonical SMILES

O=C(OC1C(C)C2(O)C3C=C(C(=O)C3CC(=CC2C4C1(OC(=O)C)C4(C)C)CO)C)C=5C=CC=CC5NC

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isomeric SMILES

CNc1ccccc1C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]3C=C(C)C(=O)C3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O

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Identifiers

InChI

InChI=1S/C30H37NO7/c1-15-11-21-20(24(15)34)12-18(14-32)13-22-25-28(4,5)30(25,38-17(3)33)26(16(2)29(21,22)36)37-27(35)19-9-7-8-10-23(19)31-6/h7-11,13,16,20-22,25-26,31-32,36H,12,14H2,1-6H3/t16-,20?,21+,22+,25-,26-,29-,30-/m1/s1

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InChIKey

KBSBUGUKMIUBEE-PROJFSEZSA-N

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PubChem CID

163185607

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KBSBUGUKMIUBEE-PROJFSEZSA-N

(Q105138501)

(1S,2S,10S,11R,13S,14R,15R)-13-(acetyloxy)-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl 2-(methylamino)benzoate

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