(3alpha,17Z)-Pregna-9(11),17-dien-3-ol | CAS No. 1093397-66-0

(3alpha,17Z)-Pregna-9(11),17-dien-3-ol

Basic Information

CAS Number

1093397-66-0

Molecular Formula

C21H32O

Molecular Weight

300.49 g/mol

AD

Basic Physical Properties

Boiling Point

416.8±45.0 °C(Predicted)

Density

1.05±0.1 g/cm3(Predicted)

C/C=C1/CC[C@H]2[C@@H]3CCC4C[C@H](O)CC[C@]4(C)C3=CC[C@]/12C

InChI

InChI=1S/C21H32O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4,10,15-18,22H,5-9,11-13H2,1-3H3/b14-4-/t15?,16-,17+,18+,20-,21+/m1/s1

InChIKey

IVEBXNFAPCTRRV-DCDPOHDLSA-N

LogP

5.2564000000000055

pKa

15.12±0.60(Predicted)

Topological Polar Surface Area

20.23 Ų

Hydrogen Bond Donor/Acceptor

1 / 1

Synonyms & References

English

  • (3R,5R,8S,10S,13S,14S,Z)-17-ethylidene-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
  • (3R,8S,10S,13S,14S,Z)-17-Ethylidene-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
  • (3R,5R,8S,10S,13S,14S,Z)-17-ethylidene-10
  • CholicAcidImpurity56
  • (3α,5β,17Z)- Pregna-9(11),17(20)-dien-3-ol

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