Chem
J-GLOBAL ID:200907038570521028
Nikkaji number:J1.293.400I
D-myo-Inositol 1-O-phosphoric acid 2-(octanoyloxy)-3-(stearoyloxy)propyl ester
D-myo-イノシトール1-O-りん酸2-(オクタノイルオキシ)-3-(ステアロイルオキシ)プロピル
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C35 H67 O13 P
Molecular formula furigana:
C35-H67-O13-P
Molecular weight:
726.882
InChI:
InChI=1S/C35H67O13P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-21-23-28(36)45-25-27(47-29(37)24-22-19-8-6-4-2)26-46-49(43,44)48-35-33(41)31(39)30(38)32(40)34(35)42/h27,30-35,38-42H,3-26H2,1-2H3,(H,43,44)/t27?,30-,31-,32+,33-,34-,35?/m1/s1
InChI key:
WWDUSGJHIKXLRP-UHTDKYJGSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC
Systematic name (3):
D-myo-イノシトール1-O-りん酸2-(オクタノイルオキシ)-3-(ステアロイルオキシ)プロピル
[3-(オクタデカノイルオキシ)-2-(オクタノイルオキシ)プロポキシ]({[(2R,3R,4S,5S,6R)-2,3,4,5,6-ペンタヒドロキシシクロヘキシル]オキシ})ホスフィン酸
[3-(octadecanoyloxy)-2-(octanoyloxy)propoxy]({[(2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid
Other name (1):
D-myo-Inositol 1-O-phosphoric acid 2-(octanoyloxy)-3-(stearoyloxy)propyl ester
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