1. Primary Information
| English name: | Momordicine V |
| CAS No.: | 1012315-36-4 |
| Molecular formula: | C39H60O12 |
| Molecular weight: | 720.9 g/mol |
| SMILES: | CC(CC(C=C(C)C)OC1C(C(C(C(O1)CO)O)O)O)C2CCC3(C2(CCC4(C3C(C=C5C4CCC(C5(C)C)OC(=O)CC(=O)O)O)C=O)C)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 5120 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3-[[(3S,7S,8S,9R,10R,13R,14S,17R)-9-formyl-7-hydroxy-4,4,13,14-tetramethyl-17-[(2R)-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid
4.2 InChI
InChI=1S/C39H60O12/c1-20(2)14-22(49-35-33(48)32(47)31(46)27(18-40)50-35)15-21(3)23-10-11-38(7)34-26(42)16-25-24(39(34,19-41)13-12-37(23,38)6)8-9-28(36(25,4)5)51-30(45)17-29(43)44/h14,16,19,21-24,26-28,31-35,40,42,46-48H,8-13,15,17-18H2,1-7H3,(H,43,44)/t21-,22?,23-,24-,26+,27-,28+,31-,32+,33-,34+,35-,37-,38+,39-/m1/s1
4.3 InChIKey
LWNCCLUCDGANTA-BGGZWTQLSA-N
4.4 Canonical SMILES
CC(CC(C=C(C)C)OC1C(C(C(C(O1)CO)O)O)O)C2CCC3(C2(CCC4(C3C(C=C5C4CCC(C5(C)C)OC(=O)CC(=O)O)O)C=O)C)C
4.5 Isomeric SMILES
C[C@H](CC(C=C(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H]2CC[C@@]3([C@@]2(CC[C@@]4([C@H]3[C@H](C=C5[C@H]4CC[C@@H](C5(C)C)OC(=O)CC(=O)O)O)C=O)C)C
