InChI=1S/C28H42O/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/h7-10,14,18-20,22,24-25,29H,11-13,15-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,27-,28+/m0/s1

【InChIKey】

InChIKey=QSVJYFLQYMVBDR-CMNOFMQQSA-N

【SMILES】

CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC=C3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C

【MOL File】

DEHYDROERGOSTEROL.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:1

H bond acceptor:1

XLogP3:9.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

【Safety informationSymbol】

GHS08

【hazard symbol】

【Risk Code】

【Safe Code】

36/37

【WGK Germany】

4CML File

DEHYDROERGOSTEROL.cml

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516-85-8 DEHYDROERGOSTEROL

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】