| SpectraBase Compound ID | 1JdAhORWMSv |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-25(2)16-17-27(5)18(23(25)31)10-13-28(6)20(27)8-9-21-29(28,7)14-11-19-26(3,4)22-12-15-30(19,21)24(32)33-22/h18-23,31H,8-17H2,1-7H3/t18-,19-,20+,21-,22-,23?,27-,28+,29+,30+/m0/s1 |
| InChIKey | PVANKMHCCCUCAQ-IBRPVJAUSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L21tuyGRSRb |
|---|---|
| Name | 1H-3,14b-(Epoxymethano)picene, 29,30-dinorgammaceran-25-oic acid deriv. |
| CAS Registry Number | 124895-68-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-25(2)16-17-27(5)18(23(25)31)10-13-28(6)20(27)8-9-21-29(28,7)14-11-19-26(3,4)22-12-15-30(19,21)24(32)33-22/h18-23,31H,8-17H2,1-7H3/t18-,19-,20+,21-,22-,23?,27-,28+,29+,30+/m0/s1 |
| InChIKey | PVANKMHCCCUCAQ-IBRPVJAUSA-N |
| Molecular Weight | 456.711 g/mol |
| SMILES | OC1[C@]2([C@@]([C@]3(CC[C@]4([C@@]([C@@]3(CC2)C)(C)CC[C@@]2([C@@]43C(O[C@@](CC3)(C2(C)C)[H])=O)[H])[H])[H])(CCC1(C)C)C)[H] |
| SPLASH | splash10-000f-0981200000-757cefdef9afe7d47830 |
| Source of Spectrum | B-42-256-10 |
| Synonyms | 29,30-Dinorgammaceran-25-oic acid, 3,22-dihydroxy-21,21-dimethyl-, .delta.-lactone, (3.beta.,8.alpha.,9.beta.,13.alpha.,14.beta.,17.alp ha.,18.beta.,22.alpha.)- (1S,2S,5R,6R,11R,14R,15R,18S,20S)-10-hydroxy-6,9,9,14,15,19,19-heptamethyl-21-oxahexacyclo[18.2.2.0(1,18).0(2,15).0(5,14).0(6,11)]tetracosan-22-one 22.alpha.-hydroxystictano-25,3.beta.-lactone |
| Wiley ID | 1389493 |