1. Primary Information
| English name: | (2S,3R,4R,5R,6S)-2-[[(3R,4S,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-4,10-dihydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl]oxy]-6-methyloxane-3,4,5-triol |
| CAS No.: | 2067321-88-2 |
| Molecular formula: | C36H60O8 |
| Molecular weight: | 620.9 g/mol |
| SMILES: | CC1C(C(C(C(O1)OC2C(C3(CCC4(C(=CCC5C4(CCC6C5(CCC(C6(C)CO)O)C)C)C3CC2(C)C)C)C)O)O)O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥96.5% | 6320 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S,3R,4R,5R,6S)-2-[[(3R,4S,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-4,10-dihydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl]oxy]-6-methyloxane-3,4,5-triol
4.2 InChI
InChI=1S/C36H60O8/c1-19-25(39)26(40)27(41)30(43-19)44-29-28(42)32(4)15-16-35(7)20(21(32)17-31(29,2)3)9-10-23-33(5)13-12-24(38)34(6,18-37)22(33)11-14-36(23,35)8/h9,19,21-30,37-42H,10-18H2,1-8H3/t19-,21-,22+,23+,24-,25-,26+,27+,28+,29-,30-,32+,33-,34+,35+,36+/m0/s1
4.3 InChIKey
SEBPBWRHNOATKL-VJZNDNFUSA-N
4.4 Canonical SMILES
CC1C(C(C(C(O1)OC2C(C3(CCC4(C(=CCC5C4(CCC6C5(CCC(C6(C)CO)O)C)C)C3CC2(C)C)C)C)O)O)O)O
4.5 Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@@]3(CC[C@@]4(C(=CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H]([C@]6(C)CO)O)C)C)[C@@H]3CC2(C)C)C)C)O)O)O)O
