| SpectraBase Spectrum ID |
J14TUzdmJ5c |
| Name |
Orthosphenic acid |
| CAS Registry Number |
86632-20-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H48O5 |
| InChI |
InChI=1S/C30H48O5/c1-18-29-8-7-19-26(4,20(29)15-22(31)30(18,34)35-17-29)12-14-28(6)21-16-25(3,23(32)33)10-9-24(21,2)11-13-27(19,28)5/h18-22,31,34H,7-17H2,1-6H3,(H,32,33)/t18-,19?,20?,21?,22-,24-,25-,26-,27-,28+,29+,30-/m1/s1 |
| InChIKey |
JPAXVSRGFJVPEU-XHKJXQPWSA-N |
| Molecular Weight |
488.709 g/mol |
| SMILES |
O[C@@]1(CC2[C@@]3(CC[C@]4(C5[C@@](CC[C@@]4(C3CC[C@]22[C@]([C@]1(OC2)O)(C)[H])C)(CC[C@](C5)(C(=O)O)C)C)C)C)[H] |
| SPLASH |
splash10-0a70-0900100000-d0a391073e6910b3bc73 |
| Source of Spectrum |
J-48-3761-0 |
| Synonyms |
2H-3,4a-(epoxymethano)picene-11-carboxylic acid, eicosahydro-2,3-dihydroxy-4,6b,8,11,12b,14a-hexamethyl-, (2R-(2-alpha,3-beta,4-beta,4a-beta,6a-alpha,6b-beta,8a-beta,11-alpha,12a-beta,12b-alpha,14a-beta,14b-alpha))- |
| Wiley ID |
1396959 |
