SpectraBase Compound ID | JYutpvvVvtn |
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InChI | InChI=1S/C27H46O2/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24(28)27(29)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-23,29H,6-17H2,1-5H3 |
InChIKey | AYXDXVGGAIDTQI-UHFFFAOYSA-N |
Mol Weight | 402.7 g/mol |
Molecular Formula | C27H46O2 |
Exact Mass | 402.349781 g/mol |
SpectraBase Spectrum ID | KpWXPhBVvoH |
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Name | 17-(1,5-Dimethylhexyl)-5-hydroxy-10,13-dimethylhexadecahydrocyclopenta[a]phenanthren-6-one |
CAS Registry Number | 19043-54-0 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C27H46O2 |
InChI | InChI=1S/C27H46O2/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24(28)27(29)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-23,29H,6-17H2,1-5H3 |
InChIKey | AYXDXVGGAIDTQI-UHFFFAOYSA-N |
Molecular Weight | 402.663 g/mol |
SMILES | OC12CCCCC1(C1C(CC2=O)C2C(CC1)(C)C(CC2)C(CCCC(C)C)C)C |
SPLASH | splash10-0ktf-9833100000-da0ba7e299739fd1b1ca |
Source of Spectrum | CM-1999-8377-0 |
Synonyms | Cholestan-5-ol-6-one 10,13-dimethyl-17-(6-methylheptan-2-yl)-5-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one 17-(1,5-Dimethyl-hexyl)-5-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phen 17-(1,5-dimethylhexyl)-5-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one 5-Hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one 5-Hydroxycholestan-6-one |
Wiley ID | 470731 |