(Q105112544)

English

(2S,6S,10S,12R,15S,18S,19S,22S,23R)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl acetate

group of stereoisomers with the chemical formula C₂₉H₄₅NO₈

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instance of

group of stereoisomers

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1 reference

535.3145173999999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₄₅NO₈

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canonical SMILES

O=C(OC1CCC2(C)C3CCC4C5(O)C(O)C(O)C6C(CN7CC(C)CCC7C6(O)C)C5CC42OC13O)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C5(O)C(CC42O[C@@]13O)[C@@H]1CN2C[C@@H](C)CCC2[C@@](C)(O)C1[C@@H](O)C5O

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Identifiers

InChI

InChI=1S/C29H45NO8/c1-14-5-8-20-26(4,34)22-16(13-30(20)12-14)17-11-27-19(28(17,35)24(33)23(22)32)7-6-18-25(27,3)10-9-21(37-15(2)31)29(18,36)38-27/h14,16-24,32-36H,5-13H2,1-4H3/t14-,16-,17?,18-,19+,20?,21-,22?,23+,24?,25-,26+,27?,28?,29+/m0/s1

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InChIKey

IGDRXLIXNAWBBF-IQRPALJASA-N

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PubChem CID

5315452

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IGDRXLIXNAWBBF-IQRPALJASA-N

1 reference

(Q105112544)

(2S,6S,10S,12R,15S,18S,19S,22S,23R)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl acetate

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