Cas no 145385-67-7 (Spirostan-6-one,3,27-dihydroxy-, (3b,5a,25S)-)
145385-67-7 structure
Product Name:Spirostan-6-one,3,27-dihydroxy-, (3b,5a,25S)-
CAS No:145385-67-7
MF:C27H42O5
MW:446.619389057159
CID:194345
Update Time:2024-03-01
Spirostan-6-one,3,27-dihydroxy-, (3b,5a,25S)- Chemical and Physical Properties
Names and Identifiers
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- Spirostan-6-one,3,27-dihydroxy-, (3b,5a,25S)-
- Sieboldogenin
- Spirostan-6-one, 3,27-dihydroxy-, (3β,5α,25S)-
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- Inchi： 1S/C27H42O5/c1-15-24-23(32-27(15)9-4-16(13-28)14-31-27)12-20-18-11-22(30)21-10-17(29)5-7-25(21,2)19(18)6-8-26(20,24)3/h15-21,23-24,28-29H,4-14H2,1-3H3/t15-,16-,17-,18+,19-,20-,21+,23-,24-,25+,26-,27+/m0/s1
- InChI Key： DMKUFWSRDJKBMB-AFTHHLFOSA-N
- SMILES： [C@@H]1(O)C[C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@]1([C@H](C)[C@@]4(CC[C@@H](CO)CO4)O[C@@]1([H])C3)[H])CC2=O
Computed Properties
- Exact Mass: 446.30336
Experimental Properties
- Density: 1.21±0.1 g/cm3(Predicted)
- Boiling Point: 588.8±50.0 °C(Predicted)
- PSA: 75.99
- pka: 14.78±0.10(Predicted)
Spirostan-6-one,3,27-dihydroxy-, (3b,5a,25S)- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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