CAS Registry Number®
57-87-4
CAS Name
Ergosterol
Molecular Formula
C28H44O
Molecular Mass
396.65
Compound Properties
-
Boiling Point (1)
250 °C @ Press: 0.01 Torr
-
Melting Point (1)
170 °C
-
Density (1)
1.04 g/cm³
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
InChIKey
InChIKey=DNVPQKQSNYMLRS-APGDWVJJSA-N
SMILES
C[C@@]12[C@](C=3[C@@]([C@]4(C)C(=CC3)C[C@@H](O)CC4)(CC1)[H])(CC[C@@]2([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H]
Canonical SMILES
OC1CC2=CC=C3C(CCC4(C)C3CCC4C(C=CC(C)C(C)C)C)C2(C)CC1
Other Names for this Substance
- Ergosta-5,7,22-trien-3-ol, (3β,22E)-
- Ergosterol
- (3β,22E)-Ergosta-5,7,22-trien-3-ol
- Ergosterin
- Provitamin D2
- Provitamin D
- 24-Methylcholesta-5,7,22-trien-3β-ol
- 24R-Methylcholesta-5,7,22E-trien-3β-ol
- 24α-Methyl-22E-dehydrocholesterol
- (24R)-Ergosta-5,7,22-trien-3β-ol
- (22E,24R)-Ergosta-5,7,22-trien-3β-ol
- 3β-Hydroxyergosta-5,7,22-triene
- (22E,24R)-5α,8α-Epidioxy-ergosta-6,22-dien-3β-ol
- MeSH ID: D004875
Deleted or Replaced CAS Registry Numbers
18844-74-1, 37571-51-0, 2170258-75-8
