CID 11385873
24(e)-3,4-seco-9ssh-lanost-4(28),7,24-trien-3,26-dioic acid
Structural Information
- Molecular Formula
- C30H46O4
- SMILES
- C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@]2([C@@]1(CC[C@@H]3C2=CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C
- InChI
- InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,12,20,22-24H,1,8-9,11,13-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10+/t20-,22+,23-,24-,28+,29-,30+/m1/s1
- InChIKey
- VGVAABHRCNAZRM-WNWTZUNUSA-N
- Compound name
- (E,6R)-6-[(3R,3aR,5aS,6S,7S,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 471.34688 | 218.4 |
[M+Na]+ | 493.32882 | 219.7 |
[M-H]- | 469.33232 | 217.8 |
[M+NH4]+ | 488.37342 | 234.6 |
[M+K]+ | 509.30276 | 214.5 |
[M+H-H2O]+ | 453.33686 | 215.3 |
[M+HCOO]- | 515.33780 | 221.8 |
[M+CH3COO]- | 529.35345 | 238.3 |
[M+Na-2H]- | 491.31427 | 210.1 |
[M]+ | 470.33905 | 215.6 |
[M]- | 470.34015 | 215.6 |
Literature stripe
Patent stripe
No patent data available for this compound.