Chem
J-GLOBAL ID:200907025481072622   Nikkaji number:J603.066A

(1S)-5β,20-Epoxytax-11-ene-1,2α,4,7β,9α,10β,13α-heptol 2-benzoate 4,10-diacetate 13-[(2R,3S,4S)-3-[(tert-butoxycarbonyl)amino]-2,4,5-trihydroxypentanoate]

(1S)-5β,20-エポキシタキサ-11-エン-1,2α,4,7β,9α,10β,13α-ヘプタオール2-ベンゾアート4,10-ジアセタート13-[(2R,3S,4S)-3-[(tert-ブトキシカルボニル)アミノ]-2,4,5-トリヒドロキシペンタノアート]
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: C41H57NO17
Molecular formula furigana: C41-H57-N-O17
Molecular weight: 835.897
InChI: InChI=1S/C41H57NO17/c1-19-24(56-35(51)29(48)28(23(46)17-43)42-36(52)59-37(4,5)6)16-41(53)33(57-34(50)22-13-11-10-12-14-22)31-39(9,25(47)15-26-40(31,18-54-26)58-21(3)45)32(49)30(55-20(2)44)27(19)38(41,7)8/h10-14,23-26,28-33,43,46-49,53H,15-18H2,1-9H3,(H,42,52)/t23-,24+,25+,26-,28+,29-,30-,31+,32+,33+,39-,40+,41-/m1/s1
InChI key: TXLQXTRXOPDUPJ-PQERALFISA-N
SMILES: CC(=O)O[C@H]1[C@H](O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)CO)C(=C1C2(C)C)C
Systematic name  (4):
  • (1S)-5β,20-エポキシタキサ-11-エン-1,2α,4,7β,9α,10β,13α-ヘプタオール2-ベンゾアート4,10-ジアセタート13-[(2R,3S,4S)-3-[(tert-ブトキシカルボニル)アミノ]-2,4,5-トリヒドロキシペンタノアート]
  • (1S)-5β,20-エポキシタキサ-11-エン-1,2α,4α,7β,9α,10β,13α-ヘプタオール2-ベンゾアート4,10-ジアセタート13-[(2R,3S,4S)-3-[[(tert-ブチルオキシ)カルボニル]アミノ]-2,4,5-トリヒドロキシペンタノアート]
  • (1S,2S,3R,4S,7R,9S,10S,11R,12R,15S)-4,12-ビス(アセチルオキシ)-15-{[(2R,3S,4S)-3-{[(tert-ブトキシ)カルボニル]アミノ}-2,4,5-トリヒドロキシペンタノイル]オキシ}-1,9,11-トリヒドロキシ-10,14,17,17-テトラメチル-6-オキサテトラシクロ[11.3.1.03,10.04,7]ヘプタデカ-13-エン-2-イル ベンゾアート
  • (1S,2S,3R,4S,7R,9S,10S,11R,12R,15S)-4,12-bis(acetyloxy)-15-{[(2R,3S,4S)-3-{[(tert-butoxy)carbonyl]amino}-2,4,5-trihydroxypentanoyl]oxy}-1,9,11-trihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate
Other name (2):
  • (1S)-5β,20-Epoxytax-11-ene-1,2α,4α,7β,9α,10β,13α-heptol 2-benzoate 4,10-diacetate 13-[(2R,3S,4S)-3-[[(tert-butyloxy)carbonyl]amino]-2,4,5-trihydroxypentanoate]
  • (1S)-5β,20-Epoxytax-11-ene-1,2α,4,7β,9α,10β,13α-heptol 2-benzoate 4,10-diacetate 13-[(2R,3S,4S)-3-[(tert-butoxycarbonyl)amino]-2,4,5-trihydroxypentanoate]
Thsaurus map:

Return to Previous Page