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Product Name |
CAS No. |
|
PNU-159682 carboxylic acid |
1204819-92-0 |
Product Name (品名) Classification: ADC Cytotoxin | PNU-159682 carboxylic acid |
Molecular Formula (分子式): | C31H33NO13 |
Molecular Weight (分子量): | 627.59 |
Purity (纯度): | 99% |
Stock Amount (库存数量)： | 5KG |
Stock Updating Date (库存更新日期): | 2023-7-21 |
Contact Telephone (联系电话): | 023-67770219 |
Contact Person (联系人): | Andy |
Contact Email: | sales@chemieliva.com |
Structure (结构式):
| |
Canonical SMILES
O=C(O)C1(O)CC2=C(O)C=3C(=O)C=4C=CC=C(OC)C4C(=O)C3C(O)=C2C(OC5OC(C)C6OC7N(CCOC7OC)C6C5)C1
Isomeric SMILES
OC=1C2=C([C@@H](O[C@H]3C[C@@]4(N5[C@](O[C@@]4([C@H](C)O3)[H])([C@@H](OC)OCC5)[H])[H])C[C@@](C(O)=O)(O)C2)C(O)=C6C1C(=O)C=7C(C6=O)=C(OC)C=CC7
InChI
InChI=1S/C31H33NO13/c1-12-27-15(32-7-8-42-29(41-3)28(32)45-27)9-18(43-12)44-17-11-31(39,30(37)38)10-14-20(17)26(36)22-21(24(14)34)23(33)13-5-4-6-16(40-2)19(13)25(22)35/h4-6,12,15,17-18,27-29,34,36,39H,7-11H2,1-3H3,(H,37,38)/t12-,15-,17-,18-,27+,28+,29-,31-/m0/s1
InChI Key
QRJDFOACHALIRS-LURYFDOKSA-N
2 Other Names for this Substance
(2S,4S)-1,2,3,4,6,11-Hexahydro-2,5,12-trihydroxy-7-methoxy-4-[[(1S,3R,4aS,9S,9aR,10aS)-octahydro-9-methoxy-1-methyl-1H-pyrano[4′,3′:4,5]oxazolo[2,3-c][1,4]oxazin-3-yl]oxy]-6,11-dioxo-2-naphthacenecarboxylic acid (ACI)
(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-{[(1S,3R,4aS,9S,9aR,10aS)-9-mecthoxy-1-methyloctahydro-1H-pyrano[4′,3′:4,5][1,3]oxazolo[2,3-c][1,4]oxazin-3-yl]oxy}-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-2-carboxylic acid
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