| SpectraBase Spectrum ID |
LDddUQKEGqo |
| Name |
(2-beta,3A-alpha,3B-beta,5-alpha,6A-beta,7A-alpha)-2,5-Diacetoxy-6A-(acetoxy-methyl)-decahydro-3A-hydroxy-4,4-dimethyl-3-methylidene-3ah-cyclopenta[A]pentalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.199153299 u |
| Formula |
C21H30O7 |
| InChI |
InChI=1S/C21H30O7/c1-11-16(27-13(3)23)7-15-8-20(10-26-12(2)22)9-17(28-14(4)24)19(5,6)18(20)21(11,15)25/h15-18,25H,1,7-10H2,2-6H3/t15-,16-,17-,18-,20+,21+/m0/s1 |
| InChIKey |
ODEOFUNFEJWSNS-HRFMKDBOSA-N |
| Molecular Weight |
394.464 g/mol |
| SMILES |
C1[C@@](C(C)(C)[C@@]2([C@@]3([C@](C[C@](OC(C)=O)(C3=C)[H])([H])C[C@]12COC(C)=O)O)[H])(OC(C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936436 |
![(2-beta,3a-alpha,3b-beta,5-alpha,6a-beta,7a-alpha)-2,5-Diacetoxy-6a-(acetoxy-methyl)-decahydro-3a-hydroxy-4,4-dimethyl-3-methylidene-3aH-cyclopenta[a]pentalene](/api/spectrum/LDddUQKEGqo/structure.png?h=300&w=458 "(2-beta,3a-alpha,3b-beta,5-alpha,6a-beta,7a-alpha)-2,5-Diacetoxy-6a-(acetoxy-methyl)-decahydro-3a-hydroxy-4,4-dimethyl-3-methylidene-3aH-cyclopenta[a]pentalene")
