1. Primary Information
| English name: | 16-Desoxycucurbitacin V |
| CAS No.: | 2081098-85-1 |
| Molecular formula: | C30H48O4 |
| Molecular weight: | 472.7 g/mol |
| SMILES: | CC1(C(CCC2C1=CCC3C2(C(=O)CC4(C3(CCC4C(C)(CC=CC(C)(C)O)O)C)C)C)O)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 6320 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(3S,8S,9R,10R,13R,14S,17S)-17-[(E,2S)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-3-hydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
4.2 InChI
InChI=1S/C30H48O4/c1-25(2,33)15-9-16-29(7,34)21-14-17-27(5)22-12-10-19-20(11-13-23(31)26(19,3)4)30(22,8)24(32)18-28(21,27)6/h9-10,15,20-23,31,33-34H,11-14,16-18H2,1-8H3/b15-9+/t20-,21+,22+,23+,27+,28-,29+,30+/m1/s1
4.3 InChIKey
ZGPQRNOLHWQHKO-VJKGUMCCSA-N
4.4 Canonical SMILES
CC1(C(CCC2C1=CCC3C2(C(=O)CC4(C3(CCC4C(C)(CC=CC(C)(C)O)O)C)C)C)O)C
4.5 Isomeric SMILES
C[C@@]12CC[C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O)C)C)[C@](C)(C/C=C/C(C)(C)O)O
