CID 102523055
1268242-82-5
Structural Information
- Molecular Formula
- C30H50O5
- SMILES
- C[C@H](CC(C(C(C)(C)O)O)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2[C@H](C[C@@H]5[C@]3(C4)CCC(=O)C5(C)C)O)C)C
- InChI
- InChI=1S/C30H50O5/c1-17(14-20(32)24(34)26(4,5)35)18-8-10-28(7)23-19(31)15-21-25(2,3)22(33)9-11-29(21)16-30(23,29)13-12-27(18,28)6/h17-21,23-24,31-32,34-35H,8-16H2,1-7H3/t17-,18-,19+,20?,21+,23+,24?,27-,28+,29-,30+/m1/s1
- InChIKey
- SOMSTXFUASXCDL-WFZZFCONSA-N
- Compound name
- (1S,3R,8R,10S,11S,12S,15R,16R)-10-hydroxy-7,7,12,16-tetramethyl-15-[(2R)-4,5,6-trihydroxy-6-methylheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 491.37308 | 215.1 |
[M+Na]+ | 513.35502 | 218.3 |
[M-H]- | 489.35852 | 215.1 |
[M+NH4]+ | 508.39962 | 229.4 |
[M+K]+ | 529.32896 | 216.1 |
[M+H-H2O]+ | 473.36306 | 215.2 |
[M+HCOO]- | 535.36400 | 209.3 |
[M+CH3COO]- | 549.37965 | 238.4 |
[M+Na-2H]- | 511.34047 | 213.5 |
[M]+ | 490.36525 | 214.7 |
[M]- | 490.36635 | 214.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.